| CAS Number | 1152839-68-3 |
| Catalog Number | AG01AGHP(AGN-PC-0WOUCT) |
| Chemical Name | [(1-methyl-1H-pyrazol-4-yl)methyl](propyl)amine |
| IUPAC Name | N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine |
| InChI | InChI=1S/C8H15N3/c1-3-4-9-5-8-6-10-11(2)7-8/h6-7,9H,3-5H2,1-2H3 |
| InChI Key | IASSGUCHCVUBGG-UHFFFAOYSA-N |
| MDL Number | MFCD11155452 |
| Molecular Formula | C8H15N3 |
| Molecular Weight | 153.2248 |
| SMILES | CCCNCC1=CN(C)N=C1 |
| Synonyms | [(1-methyl-1H-pyrazol-4-yl)methyl](propyl)amine,
1152839-68-3,
AC1Q2Y5D,
SCHEMBL16202950,
ZINC20074887,
AKOS000262764,
MCULE-7358990209,
NE53355,
EN300-71897,
Z90518474,
|
| Complexity | 106 |
| 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 | 4 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number