| CAS Number | 956438-25-8 |
| Catalog Number | AG019M3V(AGN-PC-0WOW7K) |
| Chemical Name | [(1-benzyl-1H-pyrazol-4-yl)methyl](methyl)amine |
| IUPAC Name | 1-(1-benzylpyrazol-4-yl)-N-methylmethanamine |
| InChI | InChI=1S/C12H15N3/c1-13-7-12-8-14-15(10-12)9-11-5-3-2-4-6-11/h2-6,8,10,13H,7,9H2,1H3 |
| InChI Key | GNNFYIHJZHYNQJ-UHFFFAOYSA-N |
| MDL Number | MFCD07686045 |
| Molecular Formula | C12H15N3 |
| Molecular Weight | 201.2676 |
| SMILES | CNCC1=CN(CC2=CC=CC=C2)N=C1 |
| Synonyms | [(1-benzyl-1H-pyrazol-4-yl)methyl](methyl)amine,
956438-25-8,
AC1OFLE0,
SCHEMBL14920037,
GNNFYIHJZHYNQJ-UHFFFAOYSA-N,
HMS1744F04,
ZINC4218791,
AKOS009023855,
MCULE-2583587681,
1-(1-benzylpyrazol-4-yl)-N-methylmethanamine,
(1-benzyl-1H-pyrazol-4-ylmethyl)-methyl-amine,
F8888-7130,
Z102768030,
CID7131412,
1-(1-benzylpyrazol-4-yl)-N-methyl-methanamine,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.273g/mol |
| Monoisotopic Mass | 201.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number