Carbanilic acid, m-hydroxy-, methyl ester, 2-isobutylcarbamate
Basic information
- CAS
19961-61-6- Standard SMILES
COC(=O)Nc1cccc(OC(=O)NCC(C)C)c1- InChIKey
IHMONZYYTNHVBE-UHFFFAOYSA-N- Molecular formula
- C13H18N2O4
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.12665706
Names & identifiers
- Preferred name
- Carbanilic acid, m-hydroxy-, methyl ester, 2-isobutylcarbamate
- IUPAC
- [3-(methoxycarbonylamino)phenyl] N-(2-methylpropyl)carbamate
- English name
- m-(Isobutylcarbamoyloxy)carbanilic acid methyl ester
- Molecular formula
- C13H18N2O4
- Molecular weight
- 266.29
Names & synonyms
19961-61-6KPU9I2T5RLCARBANILIC ACID, m-HYDROXY-, METHYL ESTER, 2-ISOBUTYLCARBAMATENSC 222543BRN 2387434Methyl m-hydroxycarbanilate, isobutylcarbamateUNII-KPU9I2T5RLNSC-222543Carbanilic acid, m-hydroxy-, methyl ester, isobutylcarbamate (ester)DTXSID00173748CARBAMIC ACID, ISOBUTYL-, ESTER WITH METHYL M-HYDROXYCARBANILATERefChem:123473
Show more names
m-(Isobutylcarbamoyloxy)carbanilic acid methyl ester
DTXCID4096239Carbanilic acid, m-hydroxy-, methyl ester, isobutylcarbamate (ester) (8CI)Methyl m-hydroxycarbanilate isobutylcarbamateWLN: 1Y1&1MVOR CMVO1NSC222543Carbanilic acid, methyl ester, 2-isobutylcarbamateCarbanilic acid, methyl ester, isobutylcarbamate (ester)3-[(Methoxycarbonyl)amino]phenyl (2-methylpropyl)carbamate
Database identifiers
- CAS
19961-61-6- PubChem CID
- 29873
- DTXSID
DTXSID00173748- UNII
- KPU9I2T5RL
- Nikkaji
- J42.855H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 334.4 · 334.4±34.0 °C(Predicted)
- Density
- 1.182 · 1.182±0.06 g/cm3(Predicted)
- pka
- 12.34 · 12.34±0.46(Predicted)
- FDA UNII
- 9 I2T5RL · KPU9I2T5RL
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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