Phenol, 3-(dimethylamino)-, methylcarbamate (ester)
Basic information
- CAS
2631-39-2- Standard SMILES
CNC(=O)Oc1cccc(N(C)C)c1- InChIKey
JNABVZFXUJTCSF-UHFFFAOYSA-N- Molecular formula
- C10H14N2O2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.10552769
Names & identifiers
- Preferred name
- Phenol, 3-(dimethylamino)-, methylcarbamate (ester)
- IUPAC
- [3-(dimethylamino)phenyl] N-methylcarbamate
Names & synonyms
2631-39-2Phenol, 3-(dimethylamino)-, methylcarbamate (ester)3-(Dimethylamino)phenol methylcarbamate (ester)B932FM6R7U[3-(dimethylamino)phenyl] N-methylcarbamateNSC-1281583-(dimethylamino)phenyl methylcarbamate(3-(Dimethylamino)phenyl) N-methylcarbamateNSC 128158Neostigmine impurity 36UNII-B932FM6R7UPhenol, 3-(dimethylamino)-, 1-(N-methylcarbamate)
Show more names
CHEMBL3249288SCHEMBL11803291DTXSID10180928NSC128158Phenol, m-(dimethylamino)-, methylcarbamate (ester)
Database identifiers
- CAS
2631-39-2- PubChem CID
- 46107
- DTXSID
DTXSID10180928- ChEMBL
CHEMBL3249288- UNII
- B932FM6R7U
- Nikkaji
- J747.751A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Experimental & physicochemical properties
LogP1.64
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Compound notes
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