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7422-90-4 | Acetaldehyde dimethylhydrazone
CAS No: 7422-90-4 Catalog No: AG008QRN MDL No:
Product Description
Catalog Number:
AG008QRN
Chemical Name:
Acetaldehyde dimethylhydrazone
CAS Number:
7422-90-4
Molecular Formula:
C4H10N2
Molecular Weight:
86.1356
IUPAC Name:
N-(ethylideneamino)-N-methylmethanamine
InChI:
InChI=1S/C4H10N2/c1-4-5-6(2)3/h4H,1-3H3
InChI Key:
FDWQPDLACZBQBC-UHFFFAOYSA-N
SMILES:
CC=NN(C)C
EC Number:
231-046-1
Properties
Complexity:
47.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
86.084g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
86.138g/mol
Monoisotopic Mass:
86.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Gibbs energy of activation for thermal isomerization of (1Z)-acetaldehyde hydrazone and (1Z)-acetaldehyde N,N-dimethylhydrazone by Gaussian-4 theory and CCSD(T)/CBS computations. | Journal of computational chemistry 20091115 |
| A QSAR/QSTR study on the human health impact of the rocket fuel 1,1-dimethyl hydrazine and its transformation products Multicriteria hazard ranking based on partial order methodologies. | Environmental toxicology and pharmacology 20090501 |
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