methyl N-(2-aminophenyl)-N-methylcarbamate
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Basic information
- CAS
362669-92-9- Standard SMILES
COC(=O)N(C)c1ccccc1N- InChIKey
ZEUYXARSFFJSPZ-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Names & identifiers
- Preferred name
- methyl N-(2-aminophenyl)-N-methylcarbamate
- IUPAC
- methyl N-(2-aminophenyl)-N-methylcarbamate
- English name
- Carbamic acid, (2-aminophenyl)methyl-, methyl ester (9CI)
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.2
Names & synonyms
SCHEMBL13783884AKOS0112727322-(N-Methyl-N-methyloxycarbonyl)aminoanilineCarbamic acid, (2-aminophenyl)methyl-, methyl ester (9CI)
Database identifiers
- CAS
362669-92-9- PubChem CID
- 45122903
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 286.3 · 286.3±23.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- pka
- 4.42 · 4.42±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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