| CAS Number | 400757-10-0 |
| Catalog Number | AG00C8O8(AGN-PC-0WB3BL) |
| Chemical Name | N-Methyl-1-(1-(o-tolyl)-1H-pyrazol-4-yl)methanamine |
| IUPAC Name | N-methyl-1-[1-(2-methylphenyl)pyrazol-4-yl]methanamine |
| InChI | InChI=1S/C12H15N3/c1-10-5-3-4-6-12(10)15-9-11(7-13-2)8-14-15/h3-6,8-9,13H,7H2,1-2H3 |
| InChI Key | NYSWMNMPUQMRJS-UHFFFAOYSA-N |
| MDL Number | MFCD09055226 |
| Molecular Formula | C12H15N3 |
| Molecular Weight | 201.2676 |
| SMILES | N1(C2=CC=CC=C2C)C=C(C=N1)CNC |
| Synonyms | 400757-10-0,
N-METHYL-1-[1-(2-METHYLPHENYL)-1H-PYRAZOL-4-YL]METHANAMINE,
N-Methyl-1-(1-(o-tolyl)-1H-pyrazol-4-yl)methanamine,
CTK4I2423,
DTXSID00650807,
ZX-CM002618,
MFCD09055226,
ZINC19088464,
AKOS010523149,
AJ-70984,
Y-5060,
4003926-25G,
4003926-50G,
4003926-100G,
n-methyl-1-[1-1h-pyrazol-4-yl]methanamine,
N-METHYL-1-[1- -1H-PYRAZOL-4-YL]METHANAMINE,
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| Complexity | 195 |
| 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 | 3 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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