2-(2-Cyanoethyl)-1,1,1,2-tetramethylhydrazin-1-ium iodide

CAS Number: 75985-07-8
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CN(CCC#N)[N+](C)(C)C.[I-]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
I.C7H16N3
Molecular Weight
142.225
Drug-likeness
-6.2799
CAS
75985-07-8
InChI key
ZWPLOULQRWGIQA-UHFFFAOYSA-M
SMILES
CN(CCC#N)[N+](C)(C)C.[I-]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 75985-07-8
Molecule Name 2-(2-Cyanoethyl)-1,1,1,2-tetramethylhydrazin-1-ium iodide
Molecular Formula I.C7H16N3
SMILES CN(CCC#N)[N+](C)(C)C.[I-]
InChI InChI=1S/C7H16N3.HI/c1-9(7-5-6-8)10(2,3)4;/h5,7H2,1-4H3;1H/q+1;/p-1
InChI Key ZWPLOULQRWGIQA-UHFFFAOYSA-M
CanonicalSyTyLFy 1177eafbfa43327d
TotalMolweight 269.125
Molecular Weight 142.225
MonoisotopicMass 142.134422
CLogP -2.626
CLogS 2.195
H Acceptors 3
TotalSurfaceArea 127.95
Relative PSA 0.07417
PolarSurfaceArea 27.03
Drug-likeness -6.2799
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.74758
Molecular Complexity 0.54931
Fragments 2
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 3
Sp3Atoms 8
Symmetricatoms 2

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