CARBAMYLCHOLINE

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Keyword(s): Human Neurotoxin
Molecule Category Free-form
UNII 54Z8M50D6Q
EPA CompTox DTXSID0048397

Structure

InChI Key VPJXQGSRWJZDOB-UHFFFAOYSA-O
Smiles C[N+](C)(C)CCOC(N)=O
InChI
InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15N2O2
Molecular Weight 147.11
AlogP 0.2
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 53.31
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 462-58-8
NORMAN SUSDAT
FDA SRS 54Z8M50D6Q
PubChem 2551
ChemSpider 2454.0
CONTENTS