| CAS Number | 91251-22-8 |
| Catalog Number | AG00J16T(AGN-PC-0VRY2H) |
| Chemical Name | (1-phenylbutyl)amine hydrochloride |
| IUPAC Name | 1-phenylbutan-1-amine;hydrochloride |
| InChI | InChI=1S/C10H15N.ClH/c1-2-6-10(11)9-7-4-3-5-8-9;/h3-5,7-8,10H,2,6,11H2,1H3;1H |
| InChI Key | SRLJBKBDJRRHGL-UHFFFAOYSA-N |
| MDL Number | MFCD11041010 |
| Molecular Formula | C10H16ClN |
| Molecular Weight | 185.6937 |
| SMILES | C1(C=CC=CC=1)C(CCC)N.Cl |
| Synonyms | (1-Phenylbutyl)amine hydrochloride,
(R)-1-Phenylbutan-1-amine hydrochloride,
91251-22-8,
1-amino-1-phenylbutane hydrochloride,
SCHEMBL4935793,
SRLJBKBDJRRHGL-UHFFFAOYSA-N,
1-(phenyl)-butylamine hydrochloride,
ZX-CM003139,
MFCD11041010,
AKOS027426958,
MCULE-6266040177,
AK552140,
(1-Phenylbutyl)amine hydrochloride, AldrichCPR,
934268-52-7,
|
| Complexity | 95 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number