| CAS Number | 755008-06-1 |
| Catalog Number | AG01AANX |
| Chemical Name | [2-(Dimethylamino)ethyl][(3-methylphenyl)methyl]amine |
| IUPAC Name | N',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine |
| InChI | InChI=1S/C12H20N2/c1-11-5-4-6-12(9-11)10-13-7-8-14(2)3/h4-6,9,13H,7-8,10H2,1-3H3 |
| InChI Key | DOZIDNONBNTWCD-UHFFFAOYSA-N |
| MDL Number | MFCD09046178 |
| Molecular Formula | C12H20N2 |
| Molecular Weight | 192.3006 |
| SMILES | CN(CCNCC1=CC(C)=CC=C1)C |
| Synonyms | [2-(dimethylamino)ethyl][(3-methylphenyl)methyl]amine,
755008-06-1,
N,N-dimethyl-N'-(3-methylbenzyl)ethane-1,2-diamine,
AC1Q3WV1,
AC1N25S7,
SCHEMBL11983543,
CTK6I1060,
N',N'-dimethyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine,
STK128886,
ZINC21965012,
AKOS000129975,
MCULE-1230391987,
NE18530,
EN300-69120,
CID4041511,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.306g/mol |
| Monoisotopic Mass | 192.163g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number