| CAS Number | 113681-75-7 |
| Catalog Number | AG00J1GP(AGN-PC-0P5751) |
| Chemical Name | [4-(aminomethyl)benzyl]dimethylamine dihydrochloride |
| IUPAC Name | [4-[(dimethylamino)methyl]phenyl]methanamine;dihydrochloride |
| InChI | InChI=1S/C10H16N2.2ClH/c1-12(2)8-10-5-3-9(7-11)4-6-10;;/h3-6H,7-8,11H2,1-2H3;2*1H |
| InChI Key | KYBFMFWHHZEYEP-UHFFFAOYSA-N |
| MDL Number | MFCD11841288 |
| Molecular Formula | C10H18Cl2N2 |
| Molecular Weight | 237.1693 |
| SMILES | N(C)(C)CC1=CC=C(C=C1)CN.Cl.Cl |
| Synonyms | 113681-75-7,
1-(4-(Aminomethyl)phenyl)-N,N-dimethylmethanamine dihydrochloride,
[4-(Aminomethyl)benzyl]dimethylamine dihydrochloride,
SCHEMBL6433564,
ZX-CM004382,
MFCD11841288,
AKOS015888770,
MCULE-7429039643,
ST24037289,
I01-13825,
{4-[(dimethylamino)methyl]phenyl}methanamine dihydrochloride,
1-(4-(Aminomethyl)phenyl)-N,N-dimethylmethanamine,
34490-85-2,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.168g/mol |
| Monoisotopic Mass | 236.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number