| CAS Number | 1201907-52-9 |
| Catalog Number | AG00J12F |
| Chemical Name | (3-Phenylbutyl)amine hydrochloride |
| IUPAC Name | 3-phenylbutan-1-amine;hydrochloride |
| InChI | InChI=1S/C10H15N.ClH/c1-9(7-8-11)10-5-3-2-4-6-10;/h2-6,9H,7-8,11H2,1H3;1H |
| InChI Key | BARFBOKCQBIPBH-UHFFFAOYSA-N |
| MDL Number | MFCD16495826 |
| Molecular Formula | C10H16ClN |
| Molecular Weight | 185.6937 |
| SMILES | C1(C=CC=CC=1)C(C)CCN.Cl |
| Synonyms | 3-Phenylbutan-1-amine hydrochloride,
1201907-52-9,
(3-PHENYLBUTYL)AMINE HYDROCHLORIDE,
3-Phenyl-butylamine hydrochloride,
MFCD16495826,
AKOS015945968,
MCULE-2072654827,
38135-56-7,
|
| 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