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Ammonium, (5-hydroxy-2,4-xylyl)trimethyl-, iodide, methylcarbamate

HCID 46919
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Basic information

CAS
64049-74-7
Standard SMILES
CNC(=O)Oc1cc([N+](C)(C)C)c(C)cc1C.[I-]
InChIKey
UKYBCGXVHKNSSM-UHFFFAOYSA-N
Molecular formula
C13H21IN2O2
Average molar mass
364.22 g/mol
Monoisotopic mass
364.06478

Names & identifiers

Preferred name
Ammonium, (5-hydroxy-2,4-xylyl)trimethyl-, iodide, methylcarbamate
IUPAC
[2,4-dimethyl-5-(methylcarbamoyloxy)phenyl]-trimethylazanium iodide

Names & synonyms

64049-74-7Carbamic acid, methyl-, 5-trimethylammonio-2,4-xylyl ester, iodideT-1767Ammonium, (5-methylcarbamoyloxy-2,4-xylyl)trimethyl-, iodideMethiodide of N-methylurethane of 6-dimethylamino-m-4-xylenolAMMONIUM, (5-HYDROXY-2,4-XYLYL)TRIMETHYL-, IODIDE, METHYLCARBAMATECarbamic acid, N-methyl-, 2,4-dimethyl-5-dimethylaminophenyl ester, methiodideRefChem:318948

Database identifiers

CAS
64049-74-7
PubChem CID
46919

Properties

Computed structural properties

Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
273

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Compound notes

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