| CAS Number | 92111-08-5 |
| Catalog Number | AG01AIGK(AGN-PC-0VY80W) |
| Chemical Name | Butyl(1-phenylpropyl)amine |
| IUPAC Name | N-(1-phenylpropyl)butan-1-amine |
| InChI | InChI=1S/C13H21N/c1-3-5-11-14-13(4-2)12-9-7-6-8-10-12/h6-10,13-14H,3-5,11H2,1-2H3 |
| InChI Key | BQNBGUDSGSWTRR-UHFFFAOYSA-N |
| MDL Number | MFCD11142467 |
| Molecular Formula | C13H21N |
| Molecular Weight | 191.3125 |
| SMILES | CCCCNC(C1=CC=CC=C1)CC |
| Synonyms | butyl(1-phenylpropyl)amine,
N-(1-phenylpropyl)butan-1-amine,
92111-08-5,
92111-07-4,
AC1L8Y1R,
Butyl(alpha-ethylbenzyl)amine,
CTK5H0898,
DTXSID60328414,
AKOS000235020,
MCULE-6064124378,
NE39538,
EN300-77735,
Z1187935311,
NSC25512,
CID409957,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.318g/mol |
| Monoisotopic Mass | 191.167g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number