Acetamide, N-(2-aminoethyl)-2-(1-naphthyl)-, hydrochloride

CAS Number: 73664-32-1
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NCCNC(Cc1cccc2ccccc12)=O.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C14H16N2O
Molecular Weight
228.294
Drug-likeness
-1.2368
CAS
73664-32-1
InChI key
PERIBNMFKALPTM-UHFFFAOYSA-N
SMILES
NCCNC(Cc1cccc2ccccc12)=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 73664-32-1
Molecule Name Acetamide, N-(2-aminoethyl)-2-(1-naphthyl)-, hydrochloride
Molecular Formula HCl.C14H16N2O
SMILES NCCNC(Cc1cccc2ccccc12)=O.Cl
InChI InChI=1S/C14H16N2O.ClH/c15-8-9-16-14(17)10-12-6-3-5-11-4-1-2-7-13(11)12;/h1-7H,8-10,15H2,(H,16,17);1H
InChI Key PERIBNMFKALPTM-UHFFFAOYSA-N
CanonicalSyTyLFy f1c89d9c6481dd49
TotalMolweight 264.755
Molecular Weight 228.294
MonoisotopicMass 228.126263
CLogP 1.3727
CLogS -3.061
H Acceptors 3
H Donors 2
TotalSurfaceArea 186.87
Relative PSA 0.21282
PolarSurfaceArea 55.12
Drug-likeness -1.2368
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Shape Index 0.64706
Molecula Flexibility 0.52976
Molecular Complexity 0.65205
Fragments 2
Non HAtoms 17
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 4
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 10
Sp3Atoms 4
Amides 1
Amines 1
AlkylAmines 1
BasicNitrogens 1

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