| CAS Number | 1005378-65-3 |
| Catalog Number | AG01B9Q9 |
| Chemical Name | (1-benzyl-1H-pyrazol-3-yl)methanamine |
| IUPAC Name | (1-benzylpyrazol-3-yl)methanamine |
| InChI | InChI=1S/C11H13N3/c12-8-11-6-7-14(13-11)9-10-4-2-1-3-5-10/h1-7H,8-9,12H2 |
| InChI Key | FNPPCMTXXTXSQK-UHFFFAOYSA-N |
| MDL Number | MFCD08234809 |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.2410 |
| SMILES | NCC1=NN(CC2=CC=CC=C2)C=C1 |
| Synonyms | (1-benzyl-1H-pyrazol-3-yl)methanamine,
1005378-65-3,
3-(Aminomethyl)-1-benzylpyrazole,
ZINC70651351,
AKOS006286482,
SY057511,
MFCD08234809 (95%),
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.246g/mol |
| Monoisotopic Mass | 187.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number