![Chemical structure of [2-(1H-imidazol-5-yl)ethyl]amine dihydrochloride, CAS 65592-96-3](https://api.angenesci.com/structure/3715/65592-96-3.png)
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| CAS Number | 65592-96-3 |
| Catalog Number | AG003EPC(AGN-PC-0TH9T7) |
| Chemical Name | [2-(1H-imidazol-5-yl)ethyl]amine dihydrochloride |
| EC Number | 200-100-6 |
| IUPAC Name | 2-(1H-imidazol-5-yl)ethanamine |
| InChI | InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) |
| InChI Key | NTYJJOPFIAHURM-UHFFFAOYSA-N |
| MDL Number | MFCD00128939 |
| Molecular Formula | C5H11Cl2N3 |
| Molecular Weight | 184.0669 |
| NSC Number | 33792 |
| RTECS Number | MS1050000 |
| SMILES | Cl.Cl.N1(=CNC(=C1)CCN) |
| UNII | 820484N8I3 |
| Synonyms | Ceplene,
Histamine,
Histamine Dihydrochloride,
Histamine Hydrochloride,
Peremin,
histamine,
51-45-6,
2-(1H-imidazol-5-yl)ethanamine,
2-(4-Imidazolyl)ethylamine,
1H-Imidazole-4-ethanamine,
Ergamine,
Ergotidine,
Eramin,
5-Imidazoleethylamine,
Theramine,
Free histamine,
2-Imidazol-4-ylethylamine,
2-(1H-Imidazol-4-yl)ethanamine,
beta-Aminoethylimidazole,
Imidazole-4-ethylamine,
beta-Aminoethylglyoxaline,
Histamine Base,
4-(2-Aminoethyl)-1H-imidazole,
Istamina,
2-(1H-imidazol-4-yl)ethan-1-amine,
4-Imidazoleethylamine,
1H-Imidazole-5-ethanamine,
65592-96-3,
beta-Imidazolyl-4-ethylamine,
Histamine [USAN],
Istamina [Italian],
Ethylamine, 2-imidazol-4-yl-,
Imidazole, 4-(2-aminoethyl)-,
Histamine, Free Base,
L-histamine,
2-(3H-Imidazol-4-yl)-ethylamine,
[3H]histamine,
beta-aminothethylglyoxaline,
2-[4-Imidazolyl]ethylamine,
NSC 33792,
peremin,
CCRIS 6535,
CHEBI:18295,
HSDB 3338,
UNII-820484N8I3,
CHEMBL90,
EINECS 200-100-6,
2-imidazol-5-ylethylamine,
4-(2-Aminoethyl)imidazole,
Histamin,
MLS000069447,
.beta.-Imidazolyl-4-ethylamine,
2-(1H-Imidazol-4-yl)ethylamine,
NTYJJOPFIAHURM-UHFFFAOYSA-N,
Histamine, 97%,
MFCD00005210,
NCGC00015513-04,
SMR000059091,
820484N8I3,
DSSTox_CID_3125,
DSSTox_RID_76884,
DSSTox_GSID_23125,
2-(3H-imidazol-4-yl)ethanamine,
CAS-51-45-6,
Histaminum (TN),
Histamine (DCF),
Histamium,
3h-histamine,
L-Histamin base,
Racemic histamine,
1avn,
1qft,
ALBB-005968,
ZERO/004089,
Spectrum_000845,
Opera_ID_1772,
Spectrum2_000665,
Spectrum3_000452,
Spectrum4_000960,
Spectrum5_000796,
Lopac-H-7250,
b-Imidazolyl-4-ethylamine,
.beta.-Aminoethylimidazole,
bmse000744,
.beta.-Aminoethylglyoxaline,
Histamine, >=97.0%,
AC1L19ZT,
AC1Q54BV,
AC1Q54BW,
SCHEMBL2279,
2-(4-Imidazolyl)ethanamine,
2-imidazol-4-yl-Ethylamine,
Lopac0_000595,
WLN: T5M CNJ D2Z,
BSPBio_001117,
BSPBio_002124,
KBioGR_000457,
KBioGR_001580,
KBioSS_000457,
KBioSS_001325,
DivK1c_000308,
Histamine, analytical standard,
SPBio_000729,
(1H-imidazol-4-yl)ethylamine,
BDBM7966,
GTPL1204,
GTPL1247,
DTXSID4023125,
BCBcMAP01_000250,
CTK1G9684,
CTK5C2901,
KBio1_000308,
KBio2_000457,
KBio2_001325,
KBio2_003025,
KBio2_003893,
KBio2_005593,
KBio2_006461,
KBio3_000853,
KBio3_000854,
KBio3_001344,
KS-00000XSS,
F411C768-A159-4FC0-A195-291A08BB03AA,
2-(1H-Imidazol-5-yl)ethylamine,
2-(3H-imidazol-4-yl)ethylamine,
NINDS_000308,
Bio1_000487,
Bio1_000976,
Bio1_001465,
Bio2_000389,
Bio2_000869,
HMS1362G19,
HMS1792G19,
HMS1990G19,
HMS3403G19,
ZINC388081,
2-(1H-Imidazol-4-yl)-ethylamine,
HY-B1204,
NSC33792,
Tox21_110166,
[2-(1H-imidazol-4-yl)ethyl]amine,
2-(1H-Imidazol-4-yl)ethanamine #,
ANW-50461,
BBL004932,
BDBM50121205,
Histamine Dihydrochloride (Salt/Mix),
IN1471,
MFCD00128939,
NSC-33792,
SBB012708,
STK346752,
AKOS000274386,
AKOS009158347,
Histamine, base, >=97.0% (NT),
Tox21_110166_1,
CCG-204684,
CS-4697,
DB05381,
FS-5386,
MCULE-4970362785,
RP00535,
RTR-018324,
SDCCGMLS-0066601.P001,
IDI1_000308,
IDI1_002144,
SMP1_000151,
NCGC00015513-01,
NCGC00015513-02,
NCGC00015513-03,
NCGC00015513-05,
NCGC00015513-06,
NCGC00015513-07,
NCGC00015513-08,
NCGC00015513-09,
NCGC00015513-10,
NCGC00015513-11,
NCGC00093371-02,
NCGC00093371-03,
NCGC00093371-04,
NCGC00093371-05,
AC-13185,
AJ-70500,
AN-24395,
BC205752,
BP-11484,
BR-47510,
LS-75835,
ST073926,
SY041787,
SBI-0050577.P004,
TR-018324,
AM20100377,
BB 0241907,
FT-0627839,
Y9749,
Histamine, Vetec(TM) reagent grade, >=97%,
MFCD00005210 (97%),
2631-EP2268638A1,
2631-EP2269989A1,
2631-EP2269990A1,
2631-EP2270002A1,
2631-EP2275420A1,
2631-EP2277565A2,
2631-EP2277566A2,
2631-EP2277567A1,
2631-EP2277568A2,
2631-EP2277569A2,
2631-EP2277570A2,
2631-EP2277848A1,
2631-EP2280001A1,
2631-EP2281563A1,
2631-EP2286811A1,
2631-EP2287165A2,
2631-EP2287166A2,
2631-EP2292280A1,
2631-EP2292619A1,
2631-EP2292620A2,
2631-EP2295409A1,
2631-EP2295423A1,
2631-EP2298734A2,
2631-EP2298767A1,
2631-EP2298772A1,
2631-EP2298776A1,
2631-EP2300422A1,
2631-EP2301937A1,
2631-EP2305260A1,
2631-EP2305640A2,
2631-EP2305648A1,
2631-EP2305652A2,
2631-EP2305668A1,
2631-EP2305677A1,
2631-EP2308873A1,
2631-EP2311801A1,
2631-EP2311802A1,
2631-EP2311803A1,
2631-EP2311831A1,
2631-EP2314574A1,
2631-EP2314587A1,
2631-EP2316459A1,
2631-EP2316824A1,
2631-EP2316831A1,
2631-EP2371814A1,
C-5322,
C00388,
D08040,
AB00053481_20,
AB00053481_21,
056H928,
163355-EP2270002A1,
163355-EP2284166A1,
714I940,
L000292,
I05-0627,
J-505349,
Histamine, EuropePharmacopoeia (EP) Reference Standard,
F2173-0575,
Ceplene,
Histamine dihydrochloride,
Histaminum,
Histamine phosphate,
Histamine diphosphate,
Histamine dichloride,
Histamine hydrochloride,
Histamine (free base),
2-imidazol-4-ylethylamin,
C5H9N3,
D04USC,
H7125_SIGMA,
CHEMBL544208,
CID774,
Histamine, 97% - 1G 1g,
C5-H9-N3,
2-(1H-imidazol-5-yl)ethan-1-amine,
56-92-8,
D006632,
HSM,
51-74-1,
75614-87-8,
|
| Complexity | 64.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.148g/mol |
| Monoisotopic Mass | 111.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
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