| CAS Number | 1170583-63-7 |
| Catalog Number | AG019UIQ(AGN-PC-0WODQ3) |
| Chemical Name | 2-[4-(3-aminopropyl)-3-methyl-1H-pyrazol-1-yl]ethan-1-ol |
| IUPAC Name | 2-[4-(3-aminopropyl)-3-methylpyrazol-1-yl]ethanol |
| InChI | InChI=1S/C9H17N3O/c1-8-9(3-2-4-10)7-12(11-8)5-6-13/h7,13H,2-6,10H2,1H3 |
| InChI Key | RALVMEYUDHQHRZ-UHFFFAOYSA-N |
| MDL Number | MFCD11857847 |
| Molecular Formula | C9H17N3O |
| Molecular Weight | 183.2508 |
| SMILES | CC1C(CCCN)=CN(CCO)N=1 |
| Synonyms | 2-[4-(3-aminopropyl)-3-methyl-1H-pyrazol-1-yl]ethan-1-ol,
1170583-63-7,
AC1Q2PVN,
CTK7E7825,
ZINC32628185,
AKOS026730485,
MCULE-4587917650,
NE62006,
EN300-41809,
F8881-7595,
Z1695784331,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.255g/mol |
| Monoisotopic Mass | 183.137g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number