| CAS Number | 87923-46-4 |
| Catalog Number | AG00IETM(AGN-PC-0VHOSL) |
| Chemical Name | (S)-1-Benzylpropylamine hydrochloride |
| IUPAC Name | (2S)-1-phenylbutan-2-amine;hydrochloride |
| InChI | InChI=1S/C10H15N.ClH/c1-2-10(11)8-9-6-4-3-5-7-9;/h3-7,10H,2,8,11H2,1H3;1H/t10-;/m0./s1 |
| InChI Key | RHTQCQVKUHGGAP-PPHPATTJSA-N |
| MDL Number | MFCD12068473 |
| Molecular Formula | C10H16ClN |
| Molecular Weight | 185.6937 |
| SMILES | C1=CC(=CC=C1)C[C@H](CC)N.Cl |
| Synonyms | 87923-46-4,
(S)-1-Benzylpropylamine HCl,
(S)-1-Benzylpropylamine hydrochloride,
(S)-1-Phenylbutan-2-amine hydrochloride,
CHEMBL33843,
SCHEMBL8842804,
(S)-1-Benzylpropylamine, HCl,
DTXSID60678562,
(S)-1-Benzylpropylaminehydrochloride,
MFCD12068473,
AS-40130,
(2S)-1-Phenylbutan-2-amine hydrochloride,
(2S)-1-Phenylbutan-2-amine--hydrogen chloride (1/1),
|
| Complexity | 95 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.695g/mol |
| Monoisotopic Mass | 185.097g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number