(2-Cyanoethyl)hydrazine

CAS Number: 353-07-1
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NNCCC#N
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
C3H7N3
Molecular Weight
85.1096
Drug-likeness
-10.573
CAS
353-07-1
InChI key
VIHRIIARIFUQLC-UHFFFAOYSA-N
SMILES
NNCCC#N
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 353-07-1
Molecule Name (2-Cyanoethyl)hydrazine
Molecular Formula C3H7N3
SMILES NNCCC#N
InChI InChI=1S/C3H7N3/c4-2-1-3-6-5/h6H,1,3,5H2
InChI Key VIHRIIARIFUQLC-UHFFFAOYSA-N
CanonicalSyTyLFy eb6254a2ee037693
TotalMolweight 85.1096
Molecular Weight 85.1096
MonoisotopicMass 85.063997
CLogP -1.4114
CLogS -1.248
H Acceptors 3
H Donors 2
TotalSurfaceArea 82.71
Relative PSA 0.48712
PolarSurfaceArea 61.84
Drug-likeness -10.573
Mutagenic low
Tumorigenic high
Reproductive Effective low
Irritant none
Nasty Functions hydrazine
Shape Index 1
Molecula Flexibility 0.63317
Molecular Complexity 0.69315
Fragments 1
Non HAtoms 6
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Sp3Atoms 4

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