Prilocaine hydrochloride

CAS Number: 1786-81-8
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CCCNC(C)C(Nc1c(C)cccc1)=O.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: low
Formula
HCl.C13H20N2O
Molecular Weight
220.315
Drug-likeness
5.1726
CAS
1786-81-8
InChI key
BJPJNTKRKALCPP-MERQFXBCSA-N
SMILES
CCCNC(C)C(Nc1c(C)cccc1)=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 1786-81-8
Molecule Name Prilocaine hydrochloride
Molecular Formula HCl.C13H20N2O
SMILES CCCNC(C)C(Nc1c(C)cccc1)=O.Cl
InChI InChI=1S/C13H20N2O.ClH/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2;/h5-8,11,14H,4,9H2,1-3H3,(H,15,16);1H/t11-;/m0./s1
InChI Key BJPJNTKRKALCPP-MERQFXBCSA-N
CanonicalSyTyLFy 15cf1c7e4486cb80
TotalMolweight 256.776
Molecular Weight 220.315
MonoisotopicMass 220.157563
CLogP 1.9542
CLogS -2.735
H Acceptors 3
H Donors 2
TotalSurfaceArea 190.73
Relative PSA 0.18854
PolarSurfaceArea 41.13
Drug-likeness 5.1726
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant low
Shape Index 0.6875
Molecula Flexibility 0.50447
Molecular Complexity 0.59188
Fragments 2
Non HAtoms 16
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 1
Rotatable Bond 5
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 7
Amides 1
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon racemate

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