| CAS Number | 926229-54-1 |
| Catalog Number | AG019Z78 |
| Chemical Name | (3-{[Butyl(ethyl)amino]methyl}phenyl)methanamine |
| IUPAC Name | N-[[3-(aminomethyl)phenyl]methyl]-N-ethylbutan-1-amine |
| InChI | InChI=1S/C14H24N2/c1-3-5-9-16(4-2)12-14-8-6-7-13(10-14)11-15/h6-8,10H,3-5,9,11-12,15H2,1-2H3 |
| InChI Key | PCJUWWQVIRPNLZ-UHFFFAOYSA-N |
| MDL Number | MFCD08442565 |
| Molecular Formula | C14H24N2 |
| Molecular Weight | 220.3538 |
| SMILES | CCCCN(CC1=CC(CN)=CC=C1)CC |
| Synonyms | (3-{[butyl(ethyl)amino]methyl}phenyl)methanamine,
926229-54-1,
N-[3-(AMINOMETHYL)BENZYL]-N-BUTYL-N-ETHYLAMINE,
CTK6E2123,
ZINC21951776,
AKOS000125151,
MCULE-8314037912,
NE20430,
N-(3-(aminomethyl)benzyl)-N-ethylbutan-1-amine,
Z228584616,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.36g/mol |
| Monoisotopic Mass | 220.194g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number