N~1~,N~1~,N~2~,N~2~-Tetra(prop-2-en-1-yl)ethane-1,2-diamine--hydrogen chloride (1/1)

CAS Number: 55155-78-7
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C=CCN(CCN(CC=C)CC=C)CC=C.Cl
Molecule Information
Mutagenic: none Tumorigenic: low Irritant: low
Formula
HCl.C14H24N2
Molecular Weight
220.359
Drug-likeness
0.069106
CAS
55155-78-7
InChI key
REJMKJLLTYJIJV-UHFFFAOYSA-N
SMILES
C=CCN(CCN(CC=C)CC=C)CC=C.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
low
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 55155-78-7
Molecule Name N~1~,N~1~,N~2~,N~2~-Tetra(prop-2-en-1-yl)ethane-1,2-diamine--hydrogen chloride (1/1)
Molecular Formula HCl.C14H24N2
SMILES C=CCN(CCN(CC=C)CC=C)CC=C.Cl
InChI InChI=1S/C14H24N2.ClH/c1-5-9-15(10-6-2)13-14-16(11-7-3)12-8-4;/h5-8H,1-4,9-14H2;1H
InChI Key REJMKJLLTYJIJV-UHFFFAOYSA-N
CanonicalSyTyLFy b51c0e87530b4bd
TotalMolweight 256.82
Molecular Weight 220.359
MonoisotopicMass 220.193948
CLogP 2.265
CLogS -1.266
H Acceptors 2
TotalSurfaceArea 214.82
Relative PSA 0.033051
PolarSurfaceArea 6.48
Drug-likeness 0.069106
Mutagenic none
Tumorigenic low
Reproductive Effective none
Irritant low
Shape Index 0.625
Molecula Flexibility 0.86803
Molecular Complexity 0.40474
Fragments 2
Non HAtoms 16
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 11
Sp3Atoms 8
Symmetricatoms 11
Amines 2
AlkylAmines 2
BasicNitrogens 2

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