Ethanamine, perchlorate

CAS Number: 14999-73-6
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CCN.OCl(=O)(=O)=O
Molecule Information
Mutagenic: high Tumorigenic: low Irritant: none
Formula
HO4Cl.C2H7N
Molecular Weight
100.457
Drug-likeness
-10.987
CAS
14999-73-6
InChI key
QYPCWXLVUAOBQG-UHFFFAOYSA-N
SMILES
CCN.OCl(=O)(=O)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
low
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 14999-73-6
Molecule Name Ethanamine, perchlorate
Molecular Formula HO4Cl.C2H7N
SMILES CCN.OCl(=O)(=O)=O
InChI InChI=1S/C2H7N.ClHO4/c1-2-3;2-1(3,4)5/h2-3H2,1H3;(H,2,3,4,5)
InChI Key QYPCWXLVUAOBQG-UHFFFAOYSA-N
CanonicalSyTyLFy 3d83474b04532e87
TotalMolweight 145.542
Molecular Weight 100.457
MonoisotopicMass 99.956337
CLogP -2.8682
CLogS 0.448
H Acceptors 4
H Donors 1
TotalSurfaceArea 74.39
Relative PSA 0.70198
PolarSurfaceArea 71.44
Drug-likeness -10.987
Mutagenic high
Tumorigenic low
Reproductive Effective high
Irritant none
Nasty Functions Cl,Br,I on N,O,P,S,Se,I
Shape Index 0.6
Molecular Complexity 0.80472
Fragments 2
Non HAtoms 5
NonCHAtoms 5
Electronegative Atoms 5
Sp3Atoms 1
Symmetricatoms 2

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