| CAS Number | 16011-90-8 |
| Catalog Number | AG00ANEV(AGN-PC-0Q7TZ6) |
| Chemical Name | 4-Aminobutyronitrile monohydrochloride |
| EC Number | 240-145-9 |
| IUPAC Name | 4-aminobutanenitrile;hydrochloride |
| InChI | InChI=1S/C4H8N2.ClH/c5-3-1-2-4-6;/h1-3,5H2;1H |
| InChI Key | BPGZMPVIXFJEDB-UHFFFAOYSA-N |
| MDL Number | MFCD16619402 |
| Molecular Formula | C4H9ClN2 |
| Molecular Weight | 120.5807 |
| SMILES | C(CC#N)CN.Cl |
| Synonyms | 4-aminobutanenitrile hydrochloride,
16011-90-8,
4-Aminobutyronitrile monohydrochloride,
4-aminobutyronitrile hydrochloride,
4-Aminobutyronitrile HCl,
EINECS 240-145-9,
AC1MI0C7,
SCHEMBL2221812,
3-aminopropylcyanide hydrochloride,
DTXSID90166801,
BPGZMPVIXFJEDB-UHFFFAOYSA-N,
MFCD09834420,
AKOS026743503,
MCULE-8406710235,
NE37320,
Z1649677743,
C4-H8-N2.Cl-H,
CID3014915,
32754-99-7,
|
| Complexity | 59.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 120.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 120.58g/mol |
| Monoisotopic Mass | 120.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number