Phenol, 3-(dimethylamino)-4-isopropyl-, methylcarbamate (ester), monohydrochloride

HCID 47233

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Basic information

CAS: 24996-51-8
Standard SMILES: CNC(=O)Oc1ccc(C(C)C)c(N(C)C)c1
InChIKey: FTYZKBRQVSKNSN-UHFFFAOYSA-N
Molecular formula: C13H20N2O2
Average molar mass: 236.31 g/mol
Monoisotopic mass: 236.15247789

Names & identifiers

Preferred name: Phenol, 3-(dimethylamino)-4-isopropyl-, methylcarbamate (ester), monohydrochloride
IUPAC: [3-(dimethylamino)-4-propan-2-ylphenyl] N-methylcarbamate

Names & synonyms

24996-51-8N-Methylurethane of hydrochloride of 3-dimethylamino-4-isopropylphenolCarbamic acid, methyl-, 3-(dimethylamino)-4-isopropylphenyl ester, hydrochlorideDTXSID001797053-(Dimethylamino)-4-isopropylphenol methylcarbamate (ester) hydrochloridePhenol, 3-(dimethylamino)-4-isopropyl-, methylcarbamate (ester), monohydrochlorideRefChem:369165DTXCID201021963-(Dimethylamino)-4-(propan-2-yl)phenyl methylcarbamatePhenol, 3-(dimethylamino)-4-isopropyl-, methylcarbamate (ester)

Database identifiers

CAS: 24996-51-8
PubChem CID: 47233
DTXSID: DTXSID00179705

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 254

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