N-Methylpropan-1-amine--hydrogen chloride (1/1)

CAS Number: 65845-60-5
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CCCNC.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C4H11N
Molecular Weight
73.1383
Drug-likeness
0.51215
CAS
65845-60-5
InChI key
FDLVCUOMIAFXNG-UHFFFAOYSA-N
SMILES
CCCNC.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 65845-60-5
Molecule Name N-Methylpropan-1-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C4H11N
SMILES CCCNC.Cl
InChI InChI=1S/C4H11N.ClH/c1-3-4-5-2;/h5H,3-4H2,1-2H3;1H
InChI Key FDLVCUOMIAFXNG-UHFFFAOYSA-N
CanonicalSyTyLFy a4305cf9b9956e4a
TotalMolweight 109.599
Molecular Weight 73.1383
MonoisotopicMass 73.089149
CLogP 0.4586
CLogS -0.739
H Acceptors 1
H Donors 1
TotalSurfaceArea 77
Relative PSA 0.14883
PolarSurfaceArea 12.03
Drug-likeness 0.51215
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.59547
Molecular Complexity 0.54931
Fragments 2
Non HAtoms 5
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 2
Sp3Atoms 5
Amines 1
AlkylAmines 1
BasicNitrogens 1

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