| CAS Number | 99325-84-5 |
| Catalog Number | AG00IXU3(AGN-PC-0OP4G0) |
| Chemical Name | (E)-N,N-dimethyl-1-nitro-1-propen-2-amine |
| IUPAC Name | (E)-N,N-dimethyl-1-nitroprop-1-en-2-amine |
| InChI | InChI=1S/C5H10N2O2/c1-5(6(2)3)4-7(8)9/h4H,1-3H3/b5-4+ |
| InChI Key | JKDKRCQFQLHTNV-SNAWJCMRSA-N |
| MDL Number | MFCD02186820 |
| Molecular Formula | C5H10N2O2 |
| Molecular Weight | 130.1451 |
| SMILES | O=[N+]([O-])C=C(N(C)C)C |
| Synonyms | (E)-N,N-dimethyl-1-nitro-1-propen-2-amine,
99325-84-5,
dimethyl[(1E)-1-nitroprop-1-en-2-yl]amine,
AC1NV53T,
MFCD02186820,
ZINC20366242,
AKOS006276302,
(E)-N,N-dimethyl-1-nitroprop-1-en-2-amine,
2R-0814,
1-Propen-2-amine,N,N-dimethyl-1-nitro-,(Z)-(9CI),
InChI=1/C5H10N2O2/c1-5(6(2)3)4-7(8)9/h4H,1-3H3/b5-4,
142470-24-4,
CID5523666,
N,N-dimethyl-1-nitro-prop-1-en-2-amine,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 130.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.147g/mol |
| Monoisotopic Mass | 130.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number