| CAS Number | 71475-28-0 |
| Catalog Number | AG01AJWY |
| Chemical Name | butyl(1-phenylethyl)amine hydrochloride |
| IUPAC Name | N-(1-phenylethyl)butan-1-amine;hydrochloride |
| InChI | InChI=1S/C12H19N.ClH/c1-3-4-10-13-11(2)12-8-6-5-7-9-12;/h5-9,11,13H,3-4,10H2,1-2H3;1H |
| InChI Key | VOINRBYNVKGJDU-UHFFFAOYSA-N |
| MDL Number | MFCD02671074 |
| Molecular Formula | C12H20ClN |
| Molecular Weight | 213.7469 |
| SMILES | Cl.CCCCNC(C1=CC=CC=C1)C |
| Synonyms | butyl(1-phenylethyl)amine hydrochloride,
71475-28-0,
AKOS008054554,
MCULE-1129178205,
NE20932,
EN300-82127,
N-(1-PHENYLETHYL)-1-BUTANAMINE HYDROCHLORIDE,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.749g/mol |
| Monoisotopic Mass | 213.128g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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