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| CAS Number | 443-79-8 |
| Catalog Number | AG003PTX(AGN-PC-0OAGJX) |
| Chemical Name | DL-Isoleucine |
| EC Number | 207-139-8 |
| FEMA Number | 3295 |
| IUPAC Name | 2-amino-3-methylpentanoic acid |
| InChI | InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) |
| InChI Key | AGPKZVBTJJNPAG-UHFFFAOYSA-N |
| MDL Number | MFCD00004268 |
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 131.1729 |
| SMILES | CC[C@H](C)[C@H](N)C(O)=O |
| Synonyms | 2-amino-3-methylpentanoic acid,
DL-ISOLEUCINE,
2-Amino-3-methylpentanoic acid,
443-79-8,
DL-Allo-isoleucine,
Isoleucine, DL-,
2-amino-3-methyl-pentanoic acid,
CHEBI:38264,
AGPKZVBTJJNPAG-UHFFFAOYSA-N,
NCGC00181164-01,
DSSTox_CID_26882,
DSSTox_RID_81986,
DSSTox_GSID_46882,
Hile,
DL-Alloisoleucine,
(R)-Isoleucine,
Alloisoleucine, L-,
3107-04-8,
CAS-443-79-8,
H-DL-Ile-OH,
NSC46708,
EINECS 206-269-2,
MFCD00065934,
[-]-2-Amino-3-methylpentanoic acid,
(dl)-isoleucine,
Isoleucine #,
L-allo-2-Amino-3-methylpentanoic acid,
BRN 1721793,
Norvaline, threo-,
L(+)-Isoleucine,
AK-72869,
Norvaline, erythro-,
L-Norvaline, threo-,
(2S,3R)-rel-2-Amino-3-methylpentanoic acid,
ACMC-209oqk,
ISOLEUCINE,(L),
AC1Q5S2J,
SCHEMBL8868,
ISOLEUCINE, U.S.P.,
Acetic acid, (R*,R*)-,
KSC236C5T,
WLN: QVYZY2&1 -L,
ACMC-209d57,
AC1L1A15,
CHEMBL297800,
DTXSID2046882,
2-amino-3-methyl pentanoic acid,
CTK1D6159,
NSC9958,
WLN: QVYZY2&1 -L,ALLO,
DL-2-Amino-3-methylpentanoic acid,
KS-00000AB7,
NSC-9958,
Pentanoic acid, [S-(R*,R*)]-,
Pentanoic acid, [S-(R*,S*)]-,
Tox21_112765,
ANW-30102,
BBL100034,
FD3037,
NSC-46708,
NSC206282,
STL185601,
AKOS000120120,
AKOS016051419,
Tox21_112765_1,
MCULE-9861955295,
NE11149,
NSC-206282,
RTR-017078,
TRA0000513,
TRA0028283,
TRA0037093,
TRA0045124,
VA50491,
.alpha.-Amino-.beta.-methylvaleric acid,
L -allo-2-Amino-3-methylpentanoic acid,
NCGC00274084-01,
AC-24098,
AK-49802,
AK-50075,
AK-86464,
AN-44254,
AN-44900,
AN-49348,
AS-49219,
LS-84761,
SC-09607,
SC-09608,
SC-09610,
SY017751,
SY022275,
SY022340,
AB0054248,
TR-017078,
A0212,
FT-0625476,
MFCD00004268 (98%),
MFCD00064222 (98%),
(+/-)-erythro-2-Amino-3-methylpentanoic acid,
2487-EP2270018A1,
2487-EP2277867A2,
2487-EP2280003A2,
2487-EP2284157A1,
2487-EP2284178A2,
2487-EP2284179A2,
2487-EP2289892A1,
2487-EP2292088A1,
2487-EP2295055A2,
2487-EP2295410A1,
2487-EP2295550A2,
2487-EP2298780A1,
2487-EP2301939A1,
2487-EP2305657A2,
2487-EP2305689A1,
2487-EP2311453A1,
2487-EP2311850A1,
2487-EP2316470A2,
7304-EP2272972A1,
7304-EP2272973A1,
7304-EP2277872A1,
7304-EP2295550A2,
7304-EP2316470A2,
C16434,
I-7875,
MFCD00066445 (97+%),
SR-01000944853,
I01-4339,
I01-4340,
I14-2481,
S04-0121,
SR-01000944853-1,
I14-53982,
Z1270446358,
B821F6FC-012D-4267-ABE2-AA1F36808C01,
7004-09-3,
Isoleucine,
l-isoleucine,
L-allo-Isoleucine,
D-Alloisoleucine,
D-Isoleucine,
D-allo-isoleucine,
Alloisoleucine,
L-Alloisoleucine,
H-D-Allo-Ile-OH,
H-Ile-OH,
H-Allo-Ile-OH,
H-D-Ile-OH,
Isoleucine, allo-,
Isoleucine, threo-,
erythro-L-Isoleucine,
L-Isoleucine, allo-,
DL- allo- isoleucine,
H-DL-lle-OH,
L-Isoleucine, threo-,
(3R)-LS-isoleucine,
Norvaline, 3-methyl-,
DL-2-Aminobutyric acid,
2-Amino-3-methylvaleric acid,
ISOLEUCINE, L-,
UNII-5HX0BYT4E3,
DL-Isoleucine, 99% 25g,
Isoleucine, (2R,3R)-rel-,
Acetic acid, amino-sec-butyl-,
FEMA No. 3295,
C6H13NO2,
CID791,
73-32-5,
Valeric acid, 2-amino-3-methyl-,
alpha-Amino-beta-methylvaleric acid,
C6-H13-N-O2,
NSC 9958,
EINECS 207-139-8,
Pentanoic acid, 2-amino-3-methyl-,
AR-1J2683,
(2S,3S)-2-Amino-3-methylpentanoic acid,
1509-35-9,
Isoleucine, 99% - 100G 100g,
ACN-033304,
1509-34-8,
DL-Isoleucine 99% for biochemistry 10gm,
(2R,3S)-2-amino-3-methylpentanoic acid,
AI3-18474,
I0180,
319-78-8,
76322-09-3,
ile,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.175g/mol |
| Monoisotopic Mass | 131.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H315-H319-H335 |
| Packing Group | |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

