Perchloric acid--N-methylmethanamine (1/1)

CAS Number: 14488-49-4
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CNC.OCl(=O)(=O)=O
Molecule Information
Mutagenic: high Tumorigenic: low Irritant: none
Formula
HO4Cl.C2H7N
Molecular Weight
100.457
Drug-likeness
-10.987
CAS
14488-49-4
InChI key
KDWXSAMAYKEIJZ-UHFFFAOYSA-N
SMILES
CNC.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 14488-49-4
Molecule Name Perchloric acid--N-methylmethanamine (1/1)
Molecular Formula HO4Cl.C2H7N
SMILES CNC.OCl(=O)(=O)=O
InChI InChI=1S/C2H7N.ClHO4/c1-3-2;2-1(3,4)5/h3H,1-2H3;(H,2,3,4,5)
InChI Key KDWXSAMAYKEIJZ-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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