Hydrazine, 1,2-bis(alpha,alpha-dimethylbenzyl)-, hydrochloride

CAS Number: 69782-21-4
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CC(C)(c1ccccc1)NNC(C)(C)c1ccccc1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C18H24N2
Molecular Weight
268.403
Drug-likeness
0.69483
CAS
69782-21-4
InChI key
QUUKVWAGLMFTLM-UHFFFAOYSA-N
SMILES
CC(C)(c1ccccc1)NNC(C)(C)c1ccccc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 69782-21-4
Molecule Name Hydrazine, 1,2-bis(alpha,alpha-dimethylbenzyl)-, hydrochloride
Molecular Formula HCl.C18H24N2
SMILES CC(C)(c1ccccc1)NNC(C)(C)c1ccccc1.Cl
InChI InChI=1S/C18H24N2.ClH/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;/h5-14,19-20H,1-4H3;1H
InChI Key QUUKVWAGLMFTLM-UHFFFAOYSA-N
CanonicalSyTyLFy 1e9185d639e23324
TotalMolweight 304.863
Molecular Weight 268.403
MonoisotopicMass 268.193948
CLogP 3.1992
CLogS -4.022
H Acceptors 2
H Donors 2
TotalSurfaceArea 225.8
Relative PSA 0.10151
PolarSurfaceArea 24.06
Drug-likeness 0.69483
Mutagenic none
Tumorigenic none
Reproductive Effective low
Irritant none
Shape Index 0.6
Molecula Flexibility 0.67486
Molecular Complexity 0.55597
Fragments 2
Non HAtoms 20
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 5
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 8
Symmetricatoms 13

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