| CAS Number | 515131-56-3 |
| Catalog Number | AG019WUH(AGN-PC-06J7DI) |
| Chemical Name | (3-{[Ethyl(methyl)amino]methyl}phenyl)methanamine |
| IUPAC Name | N-[[3-(aminomethyl)phenyl]methyl]-N-methylethanamine |
| InChI | InChI=1S/C11H18N2/c1-3-13(2)9-11-6-4-5-10(7-11)8-12/h4-7H,3,8-9,12H2,1-2H3 |
| InChI Key | MMVYYDUAJBMSSI-UHFFFAOYSA-N |
| MDL Number | MFCD11619508 |
| Molecular Formula | C11H18N2 |
| Molecular Weight | 178.2740 |
| SMILES | CCN(CC1=CC(CN)=CC=C1)C |
| Synonyms | (3-{[ethyl(methyl)amino]methyl}phenyl)methanamine,
515131-56-3,
EN300-53186,
N-{[3-(aminomethyl)phenyl]methyl}-N-methylethanamine,
Z803153664,
(3-([ethyl(methyl)amino]methyl)phenyl)methanamine,
AC1Q2YOS,
SCHEMBL4917916,
CTK6E7968,
MMVYYDUAJBMSSI-UHFFFAOYSA-N,
ZINC37034864,
AKOS008126155,
MCULE-2966846261,
NE31727,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.279g/mol |
| Monoisotopic Mass | 178.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number