2-Propanamine, hydrochloride (1:1)

CAS Number: 15572-56-2
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CC(C)N.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: high
Formula
HCl.C3H9N
Molecular Weight
59.1115
Drug-likeness
-2.2066
CAS
15572-56-2
InChI key
ISYORFGKSZLPNW-UHFFFAOYSA-N
SMILES
CC(C)N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 15572-56-2
Molecule Name 2-Propanamine, hydrochloride (1:1)
Molecular Formula HCl.C3H9N
SMILES CC(C)N.Cl
InChI InChI=1S/C3H9N.ClH/c1-3(2)4;/h3H,4H2,1-2H3;1H
InChI Key ISYORFGKSZLPNW-UHFFFAOYSA-N
CanonicalSyTyLFy 2a04ab92a143047a
TotalMolweight 95.5724
Molecular Weight 59.1115
MonoisotopicMass 59.073499
CLogP 0.012
CLogS -0.931
H Acceptors 1
H Donors 1
TotalSurfaceArea 59.04
Relative PSA 0.25864
PolarSurfaceArea 26.02
Drug-likeness -2.2066
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant high
Shape Index 0.75
Fragments 2
Non HAtoms 4
NonCHAtoms 1
Electronegative Atoms 1
Sp3Atoms 4
Symmetricatoms 1
Amines 1
AlkylAmines 1
BasicNitrogens 1

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