| CAS Number | 925689-54-9 |
| Catalog Number | AG00GVYA(AGN-PC-0WR4IT) |
| Chemical Name | (1S)-1-(1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride |
| IUPAC Name | (1S)-1-(1H-benzimidazol-2-yl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H11N3.ClH/c1-6(10)9-11-7-4-2-3-5-8(7)12-9;/h2-6H,10H2,1H3,(H,11,12);1H/t6-;/m0./s1 |
| InChI Key | HFHWHWCRHSKBOZ-RGMNGODLSA-N |
| MDL Number | MFCD09863480 |
| Molecular Formula | C9H12ClN3 |
| Molecular Weight | 197.6647 |
| SMILES | [C@@H](C)(N)C=1NC=2C(N1)=CC=CC2.Cl |
| Synonyms | (S)-1-(1H-BENZIMIDAZOL-2-YL)ETHYLAMINE HYDROCHLORIDE,
925689-54-9,
C9H11N3.HCl,
CTK8E1541,
DTXSID30712326,
4829AJ,
AKOS015950550,
MCULE-3529264072,
CS-11124,
AB1000684,
DB-019154,
TC-306452,
FT-0771889,
Z-3971,
(S)-1-(1H-Benzimidazol-2-yl)ethylamine, HCl,
(1S)-1-(1H-Benzimidazol-2-yl)ethan-1-amine--hydrogen chloride (1/1),
(S)-(-)-2-(a-methylmethanamine)-1H-benzimidazole, min. 98% (S)-Me-BIMAH,
null,
1305320-60-8,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.666g/mol |
| Monoisotopic Mass | 197.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number