2-Propanamine, 2-methyl-, hydrochloride

CAS Number: 10017-37-5
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CC(C)(C)N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C4H11N
Molecular Weight
73.1383
Drug-likeness
-3.4155
CAS
10017-37-5
InChI key
DLDIDQIZPBIVNQ-UHFFFAOYSA-N
SMILES
CC(C)(C)N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 10017-37-5
Molecule Name 2-Propanamine, 2-methyl-, hydrochloride
Molecular Formula HCl.C4H11N
SMILES CC(C)(C)N.Cl
InChI InChI=1S/C4H11N.ClH/c1-4(2,3)5;/h5H2,1-3H3;1H
InChI Key DLDIDQIZPBIVNQ-UHFFFAOYSA-N
CanonicalSyTyLFy fac6e089732fb284
TotalMolweight 109.599
Molecular Weight 73.1383
MonoisotopicMass 73.089149
CLogP 0.3926
CLogS -1.04
H Acceptors 1
H Donors 1
TotalSurfaceArea 69.21
Relative PSA 0.22063
PolarSurfaceArea 26.02
Drug-likeness -3.4155
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.54931
Fragments 2
Non HAtoms 5
NonCHAtoms 1
Electronegative Atoms 1
Sp3Atoms 5
Symmetricatoms 2
Amines 1
AlkylAmines 1
BasicNitrogens 1

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