1-Methylcyclopropan-1-amine--hydrogen chloride (1/1)

CAS Number: 88887-87-0
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CC1(CC1)N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C4H9N
Molecular Weight
71.1225
Drug-likeness
-0.57199
CAS
88887-87-0
InChI key
GHILZUOTUJGCDH-UHFFFAOYSA-N
SMILES
CC1(CC1)N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 88887-87-0
Molecule Name 1-Methylcyclopropan-1-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C4H9N
SMILES CC1(CC1)N.Cl
InChI InChI=1S/C4H9N.ClH/c1-4(5)2-3-4;/h2-3,5H2,1H3;1H
InChI Key GHILZUOTUJGCDH-UHFFFAOYSA-N
CanonicalSyTyLFy d9c5df109dfd585a
TotalMolweight 107.583
Molecular Weight 71.1225
MonoisotopicMass 71.073499
CLogP 0.0741
CLogS -1.126
H Acceptors 1
H Donors 1
TotalSurfaceArea 58.71
Relative PSA 0.26009
PolarSurfaceArea 26.02
Drug-likeness -0.57199
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.80472
Fragments 2
Non HAtoms 5
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 1
Small Rings 1
Sp3Atoms 5
Symmetricatoms 1
Amines 1
AlkylAmines 1
BasicNitrogens 1

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