| CAS Number | 50840-30-7 |
| Catalog Number | AG006VP8(AGN-PC-05RDEF) |
| Chemical Name | 2-methyl-3-methylamino-propanenitrile |
| IUPAC Name | 2-methyl-3-(methylamino)propanenitrile |
| InChI | InChI=1S/C5H10N2/c1-5(3-6)4-7-2/h5,7H,4H2,1-2H3 |
| InChI Key | MDRIRFWZWGSGFC-UHFFFAOYSA-N |
| MDL Number | MFCD11505518 |
| Molecular Formula | C5H10N2 |
| Molecular Weight | 98.1463 |
| NSC Number | 41193 |
| SMILES | CC(C#N)CNC |
| Synonyms | 2-methyl-3-(methylamino)propanenitrile,
50840-30-7,
2-METHYL-3-METHYLAMINO-PROPANENITRILE,
NSC41193,
AC1Q4QLD,
AC1L5Z0Z,
AC1Q412M,
CTK1H4405,
DTXSID80285252,
NSC-41193,
AKOS009118598,
MCULE-1673067512,
NE62497,
EN300-39761,
Z235581902,
AR-1E3514,
CID237546,
5454-27-3,
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| Complexity | 79.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 98.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 98.149g/mol |
| Monoisotopic Mass | 98.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number