| CAS Number | 936023-14-2 |
| Catalog Number | AG00IHOV(AGN-PC-0WODS6) |
| Chemical Name | n-(3,4-dimethylbenzyl)cyclopropanamine |
| IUPAC Name | N-[(3,4-dimethylphenyl)methyl]cyclopropanamine |
| InChI | InChI=1S/C12H17N/c1-9-3-4-11(7-10(9)2)8-13-12-5-6-12/h3-4,7,12-13H,5-6,8H2,1-2H3 |
| InChI Key | JNPDTCFLSUFURZ-UHFFFAOYSA-N |
| MDL Number | MFCD11204719 |
| Molecular Formula | C12H17N |
| Molecular Weight | 175.2701 |
| SMILES | CC1=C(C)C=C(CNC2CC2)C=C1 |
| Synonyms | 936023-14-2,
n-(3,4-dimethylbenzyl)cyclopropanamine,
N-[(3,4-dimethylphenyl)methyl]cyclopropanamine,
SCHEMBL694138,
MFCD11204719,
ZINC36923310,
AKOS008989498,
MCULE-5624024422,
NE24334,
AS-40864,
EN300-83837,
Z86138988,
F8881-7688,
N-(3,4-dimethylbenzyl)cyclopropanamine, 95% - 1G 1g,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.275g/mol |
| Monoisotopic Mass | 175.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number