| CAS Number | 149529-57-7 |
| Catalog Number | AG019LPV(AGN-PC-0Q3FHW) |
| Chemical Name | (1-Phenylpropyl)(propyl)amine |
| IUPAC Name | 1-phenyl-N-propylpropan-1-amine |
| InChI | InChI=1S/C12H19N/c1-3-10-13-12(4-2)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3 |
| InChI Key | RETZQHBNHAXSEH-UHFFFAOYSA-N |
| MDL Number | MFCD09944300 |
| Molecular Formula | C12H19N |
| Molecular Weight | 177.2860 |
| SMILES | CCCNC(C1=CC=CC=C1)CC |
| Synonyms | (1-phenylpropyl)(propyl)amine,
149529-57-7,
Benzenemethanamine, alpha-ethyl-N-propyl-,
Propyl(alpha-ethylbenzyl)amine,
SCHEMBL13911223,
AKOS000186200,
AKOS016346930,
MCULE-6194463648,
NE22363,
EN300-32202,
Z1171221293,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.291g/mol |
| Monoisotopic Mass | 177.152g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number