| CAS Number | 892502-07-7 |
| Catalog Number | AG019LA1(AGN-PC-0WO4GF) |
| Chemical Name | {4-[(1H-pyrazol-1-yl)methyl]phenyl}methanamine |
| IUPAC Name | [4-(pyrazol-1-ylmethyl)phenyl]methanamine |
| InChI | InChI=1S/C11H13N3/c12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,8-9,12H2 |
| InChI Key | PTNZUQYUPCUNSX-UHFFFAOYSA-N |
| MDL Number | MFCD08271803 |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.2410 |
| SMILES | NCC1=CC=C(CN2N=CC=C2)C=C1 |
| Synonyms | [4-(1H-pyrazol-1-ylmethyl)phenyl]methanamine,
892502-07-7,
1-[4-(1H-pyrazol-1-ylmethyl)phenyl]methanamine,
AC1OFLRO,
[4-(pyrazol-1-ylmethyl)phenyl]methanamine,
AC1Q53YJ,
SCHEMBL554803,
CTK7E4458,
4-Pyrazol-1-ylmethyl-benzylamine,
PTNZUQYUPCUNSX-UHFFFAOYSA-N,
ZINC4218915,
AKOS000118426,
NE13797,
[4-(1H-pyrazol-1-ylmethyl)benzyl]amine,
AJ-49095,
EN300-30570,
(4-((1H-Pyrazol-1-yl)methyl)phenyl)methanamine,
CID7131579,
|
| Complexity | 164 |
| 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 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number