Basic information
- CAS
33472-72-9- Standard SMILES
Cc1ccccc1NC(=O)OC1CCN(C)C1- InChIKey
DTAAMVZDTXCCDV-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- 1-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidate
- IUPAC
- (1-methylpyrrolidin-3-yl) N-(2-methylphenyl)carbamate
- English name
- o-Methylcarbanilic acid 1-methyl-3-pyrrolidinyl ester
- Molecular formula
- C13H18N2O2
- Molecular weight
- 234.29
Names & synonyms
33472-72-9DTXSID409551011-Methylpyrrolidin-3-yl hydrogen (2-methylphenyl)carbonimidateRefChem:1055894DTXCID601383104BRN 1467542o-Methylcarbanilic acid, N-methyl-3-pyrrolidinyl esterCARBANILIC ACID, o-METHYL-, N-METHYL-3-PYRROLIDINYL ESTER5-21-01-00014 (Beilstein Handbook Reference)o-Methylcarbanilic acid 1-methyl-3-pyrrolidinyl esterCarbanilic acid, o-methyl-, 1-methyl-3-pyrrolidinyl ester (8CI)
Database identifiers
- CAS
33472-72-9- PubChem CID
- 36508
- DTXSID
DTXSID40955101- Nikkaji
- J69.455J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 300.4 · 300.4±42.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 13.58 · 13.58±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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