Butylhydrazine hydrochloride

CAS Number: 56795-65-4
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CCCCNN.Cl
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
HCl.C4H12N2
Molecular Weight
88.1533
Drug-likeness
-5.4977
CAS
56795-65-4
InChI key
GXXOBXPRDUPYEJ-UHFFFAOYSA-N
SMILES
CCCCNN.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 56795-65-4
Molecule Name Butylhydrazine hydrochloride
Molecular Formula HCl.C4H12N2
SMILES CCCCNN.Cl
InChI InChI=1S/C4H12N2.ClH/c1-2-3-4-6-5;/h6H,2-5H2,1H3;1H
InChI Key GXXOBXPRDUPYEJ-UHFFFAOYSA-N
CanonicalSyTyLFy 308cbbf0ce6edf8
TotalMolweight 124.614
Molecular Weight 88.1533
MonoisotopicMass 88.100048
CLogP -0.2026
CLogS -1.37
H Acceptors 2
H Donors 2
TotalSurfaceArea 87.02
Relative PSA 0.30717
PolarSurfaceArea 38.05
Drug-likeness -5.4977
Mutagenic low
Tumorigenic high
Reproductive Effective low
Irritant none
Nasty Functions hydrazine
Shape Index 1
Molecula Flexibility 0.69365
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 6
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Sp3Atoms 6

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