| CAS Number | 30684-06-1 |
| Catalog Number | AG00C32D(AGN-PC-07828Y) |
| Chemical Name | 4-Phenylbutylamine Hydrochloride |
| IUPAC Name | 4-phenylbutan-1-amine;hydrochloride |
| InChI | InChI=1S/C10H15N.ClH/c11-9-5-4-8-10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8-9,11H2;1H |
| InChI Key | DGDORWAJHREUEO-UHFFFAOYSA-N |
| MDL Number | MFCD03093616 |
| Molecular Formula | C10H16ClN |
| Molecular Weight | 185.6937 |
| SMILES | C1=CC=C(C=C1)CCCCN.Cl |
| Synonyms | 4-Phenylbutylamine Hydrochloride,
30684-06-1,
4-Phenylbutylamine HCl,
ACMC-1CQ7A,
SCHEMBL8734597,
CTK7E7924,
4-phenylbutan-1-amine;hydrochloride,
1-Amino-4-phenylbutane Hydrochloride,
9681AD,
MFCD03093616,
AKOS025402724,
AB13248,
ACM30684061,
TC-164542,
C10H16ClN,
4-Phenylbutylammonium chloride,
4-PHENYLBUTYLAMINEHYDROCHLORIDE,
Butylamine, 4-phenyl-, hydrochloride,
A1590,
|
| Complexity | 84.9 |
| 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 | 4 |
| 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