| CAS Number | 1087717-80-3 |
| Catalog Number | AG01AAOZ(AGN-PC-0WO4ZN) |
| Chemical Name | 3-[(cyclopentylmethyl)amino]propanenitrile |
| IUPAC Name | 3-(cyclopentylmethylamino)propanenitrile |
| InChI | InChI=1S/C9H16N2/c10-6-3-7-11-8-9-4-1-2-5-9/h9,11H,1-5,7-8H2 |
| InChI Key | XETQOWSGSNAIMF-UHFFFAOYSA-N |
| MDL Number | MFCD12166311 |
| Molecular Formula | C9H16N2 |
| Molecular Weight | 152.2367 |
| SMILES | N#CCCNCC1CCCC1 |
| Synonyms | 3-[(cyclopentylmethyl)amino]propanenitrile,
1087717-80-3,
3-((Cyclopentylmethyl)amino)propanenitrile,
AC1Q4SDU,
ZINC37252005,
AKOS009283958,
MCULE-3325005398,
NE56739,
EN300-69206,
Z369496824,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.241g/mol |
| Monoisotopic Mass | 152.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number