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Ammonium, (3-hydroxy-p-tolyl)trimethyl-, iodide, methylcarbamate

HCID 23525
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Basic information

CAS
7142-64-5
Standard SMILES
CNC(=O)Oc1cc([N+](C)(C)C)ccc1C.[I-]
InChIKey
JSQPDVNOBZGGNM-UHFFFAOYSA-N
Molecular formula
C12H19IN2O2
Average molar mass
350.2 g/mol
Monoisotopic mass
350.04913

Names & identifiers

Preferred name
Ammonium, (3-hydroxy-p-tolyl)trimethyl-, iodide, methylcarbamate
IUPAC
trimethyl-[4-methyl-3-(methylcarbamoyloxy)phenyl]azanium iodide

Names & synonyms

TL-1071NSC 11847T-17087142-64-5Ammonium, (3-(methylcarbamoyloxy)-p-tolyl)trimethyl-, iodideCarbamic acid, methyl-, 5-(trimethylammonio)-o-tolyl ester, iodideAMMONIUM, (3-HYDROXY-p-TOLYL)TRIMETHYL-, IODIDE, METHYLCARBAMATEMethiodide of N-methylurethane of 5-dimethylamino-4-isopropyl-o-cresolCarbamic acid, N-methyl-, 2-methyl-5-dimethylaminophenyl ester, methiodideRefChem:318874NSC11847NSC-11847
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WLN: 1MVOR B1 EK1&1&1 &Q &ICarbamic acid, 2-methyl-5-(dimethylamino)phenyl ester, methiodide

Database identifiers

CAS
7142-64-5
PubChem CID
23525

Properties

Computed structural properties

Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
248

Related reactions

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