Tutocaine

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Basic information

CAS: 891-33-8
Standard SMILES: CC(CN(C)C)C(C)OC(=O)c1ccc(N)cc1
InChIKey: MTNXJJYHFCSXCP-UHFFFAOYSA-N
Molecular formula: C14H22N2O2
Average molar mass: 250.34 g/mol
Monoisotopic mass: 250.16812795

Names & identifiers

Preferred name: Tutocaine
IUPAC: [4-(dimethylamino)-3-methylbutan-2-yl] 4-aminobenzoate
English name: 3-(dimethylamino)-1,2-dimethylpropyl p-aminobenzoate
Molecular formula: C14H22N2O2
Molecular weight: 250.34

Names & synonyms

Tutocaine891-33-8EINECS 212-966-2UNII-P1B8E343GDBRN 2731344P1B8E343GD4-(Dimethylamino)-3-methyl-2-butanol p-aminobenzoate (ester)2-Butanol, 4-(dimethylamino)-3-methyl-, 4-aminobenzoate (ester)2-BUTANOL, 4-(DIMETHYLAMINO)-3-METHYL-, 2-(4-AMINOBENZOATE)4-14-00-01142 (Beilstein Handbook Reference)2-BUTANOL, 4-(DIMETHYLAMINO)-3-METHYL-, p-AMINOBENZOATE (ester)RefChem:192600

Show more names

4-(Dimethylamino)-3-methyl-2-butanol p-aminobenzoate[4-(dimethylamino)-3-methylbutan-2-yl] 4-aminobenzoate

212-966-23-(Dimethylamino)-1,2-dimethylpropyl p-aminobenzoate4-(dimethylamino)-3-methylbutan-2-yl 4-aminobenzoateSCHEMBL29582478DTXSID10948161MTNXJJYHFCSXCP-UHFFFAOYSA-NNS00004792Q27286005

Database identifiers

CAS: 891-33-8
PubChem CID: 10769
DTXSID: DTXSID10948161
UNII: P1B8E343GD
EC Number: 212-966-2
Nikkaji: J70.064I

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 55.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 261

Physicochemical properties

Melting point: 213 · 213-215 °C
Boiling point: 393.47 °C · 393.47°C (rough estimate)
Density: 1.039 · 1.0390 (rough estimate)
refractive index: 1.511 · 1.5110 (estimate)
pka: 9.209 · 9.209±0.28(predicted)
FDA UNII: 1 B8E343GD · P1B8E343GD

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Compound notes

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