(2,4-Dimethylpentan-3-ylidene)hydrazine

CAS Number: 62104-18-1
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CC(C)C(C(C)C)=NN
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H16N2
Molecular Weight
128.218
Drug-likeness
-3.0734
CAS
62104-18-1
InChI key
KPLLJVCJQQBIRP-UHFFFAOYSA-N
SMILES
CC(C)C(C(C)C)=NN
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62104-18-1
Molecule Name (2,4-Dimethylpentan-3-ylidene)hydrazine
Molecular Formula C7H16N2
SMILES CC(C)C(C(C)C)=NN
InChI InChI=1S/C7H16N2/c1-5(2)7(9-8)6(3)4/h5-6H,8H2,1-4H3
InChI Key KPLLJVCJQQBIRP-UHFFFAOYSA-N
CanonicalSyTyLFy 7c12d8a353503a50
TotalMolweight 128.218
Molecular Weight 128.218
MonoisotopicMass 128.131348
CLogP 1.6979
CLogS -2.219
H Acceptors 2
H Donors 1
TotalSurfaceArea 119.03
Relative PSA 0.22499
PolarSurfaceArea 38.38
Drug-likeness -3.0734
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.55556
Molecula Flexibility 0.73387
Molecular Complexity 0.57565
Fragments 1
Non HAtoms 9
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 2
Sp3Atoms 7
Symmetricatoms 4

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