| CAS Number | 1042563-55-2 |
| Catalog Number | AG01AAS6(AGN-PC-0WO24K) |
| Chemical Name | 3-[(1-Cyclopropylethyl)amino]propanenitrile |
| IUPAC Name | 3-(1-cyclopropylethylamino)propanenitrile |
| InChI | InChI=1S/C8H14N2/c1-7(8-3-4-8)10-6-2-5-9/h7-8,10H,2-4,6H2,1H3 |
| InChI Key | WYVAIYVIESPXOI-UHFFFAOYSA-N |
| MDL Number | MFCD11166688 |
| Molecular Formula | C8H14N2 |
| Molecular Weight | 138.2102 |
| SMILES | CC(C1CC1)NCCC#N |
| Synonyms | 3-[(1-cyclopropylethyl)amino]propanenitrile,
1042563-55-2,
AC1Q2BNI,
SCHEMBL14444421,
AKOS009081830,
MCULE-1371711884,
NE49687,
EN300-69415,
Z163364718,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.214g/mol |
| Monoisotopic Mass | 138.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number