Myristyldimethylamine hydrochloride

CAS Number: 2016-47-9
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CCCCCCCCCCCCCCN(C)C.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
HCl.C16H35N
Molecular Weight
241.461
Drug-likeness
-16.915
CAS
2016-47-9
InChI key
VXKJCYOFOIIBHH-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCN(C)C.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 2016-47-9
Molecule Name Myristyldimethylamine hydrochloride
Molecular Formula HCl.C16H35N
SMILES CCCCCCCCCCCCCCN(C)C.Cl
InChI InChI=1S/C16H35N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3;/h4-16H2,1-3H3;1H
InChI Key VXKJCYOFOIIBHH-UHFFFAOYSA-N
CanonicalSyTyLFy e5fb433e5d5e394c
TotalMolweight 277.922
Molecular Weight 241.461
MonoisotopicMass 241.276949
CLogP 5.7235
CLogS -3.347
H Acceptors 1
TotalSurfaceArea 239.46
Relative PSA 0.014825
PolarSurfaceArea 3.24
Drug-likeness -16.915
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.94118
Molecula Flexibility 0.53325
Molecular Complexity 0.32894
Fragments 2
Non HAtoms 17
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 13
Sp3Atoms 17
Symmetricatoms 1
Amines 1
AlkylAmines 1
BasicNitrogens 1

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