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Ammonium, ((2-hydroxy-5-methyl)benzyl)trimethyl-, iodide, methylcarbamate

HCID 46603
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Basic information

CAS
64046-29-3
Standard SMILES
CNC(=O)Oc1ccc(C)cc1C[N+](C)(C)C.[I-]
InChIKey
SLKUUEUSUIOTAU-UHFFFAOYSA-N
Molecular formula
C13H21IN2O2
Average molar mass
364.22 g/mol
Monoisotopic mass
364.06478

Names & identifiers

Preferred name
Ammonium, ((2-hydroxy-5-methyl)benzyl)trimethyl-, iodide, methylcarbamate
IUPAC
trimethyl-[[5-methyl-2-(methylcarbamoyloxy)phenyl]methyl]azanium iodide

Names & synonyms

Carbamic acid, methyl-, 2-(trimethylammoniomethyl)-p-tolyl ester, iodideT-189364046-29-3Ammonium, ((2-(methylcarbamoyloxy)-5-methyl)phenylmethyl)trimethyl-, iodideAMMONIUM, ((2-HYDROXY-5-METHYL)BENZYL)TRIMETHYL-, IODIDE, METHYLCARBAMATEAmmonium, ((2-hydroxy-5-methylphenyl)methyl)trimethyl-, iodide, methylcarbamateCarbamic acid, N-methyl-, 2-dimethylaminomethyl-4-methylphenyl ester, methiodideRefChem:318622

Database identifiers

CAS
64046-29-3
PubChem CID
46603

Properties

Computed structural properties

Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
261

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Compound notes

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