| CAS Number | 1015846-23-7 |
| Catalog Number | AG0004VS(AGN-PC-0WB43X) |
| Chemical Name | N-((1-Methyl-1H-pyrazol-4-yl)methyl)propan-2-amine |
| IUPAC Name | N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine |
| InChI | InChI=1S/C8H15N3/c1-7(2)9-4-8-5-10-11(3)6-8/h5-7,9H,4H2,1-3H3 |
| InChI Key | NCQZOTZKSQUJRS-UHFFFAOYSA-N |
| MDL Number | MFCD09055384 |
| Molecular Formula | C8H15N3 |
| Molecular Weight | 153.2248 |
| SMILES | N1=CC(=CN1C)CNC(C)C |
| Synonyms | 1015846-23-7,
N-[(1-METHYL-1H-PYRAZOL-4-YL)METHYL]PROPAN-2-AMINE,
N-((1-Methyl-1H-pyrazol-4-yl)methyl)propan-2-amine,
[(1-methyl-1H-pyrazol-4-yl)methyl](propan-2-yl)amine,
AC1Q1QCM,
SCHEMBL104235,
CTK3J9970,
DTXSID20651038,
MFCD09055384,
ZINC19093477,
AKOS000262954,
MCULE-1301949597,
EN300-51901,
Y-5199,
N-[(1-Methyl-1H-pyrazol-4-yl)methyl]-2-propanamine,
1H-Pyrazole-4-methanamine, 1-methyl-N-(1-methylethyl)-,
N-[(1-methyl-1H-pyrazol-4-yl)methyl]propaN-2-amine, AldrichCPR,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.229g/mol |
| Monoisotopic Mass | 153.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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