Basic information
- CAS
19962-04-0- Standard SMILES
CN(C)C(=O)Oc1cccc(N)c1- InChIKey
LKEQZFMJKLCAEA-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987762
Names & identifiers
- Preferred name
- 3-Aminophenyl dimethylcarbamate
- IUPAC
- (3-aminophenyl) N,N-dimethylcarbamate
- English name
- 3-Aminophenyl N,N-dimethylcarbamate, 97
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.2
Names & synonyms
3-AMINOPHENYL DIMETHYLCARBAMATE19962-04-0DTXSID50173753RefChem:276669DTXCID3096244(3-aminophenyl) N,N-dimethylcarbamate3-aminophenyl N,N-dimethylcarbamateMFCD00052699Carbamic acid, N,N-dimethyl-, 3-aminophenyl esterMaybridge4_003931Neostigmine Bromide Impurity 4SCHEMBL1446527
Show more names
Neostigmine bromide Impurity LCyclobutanecarboxylicacid,3,5-difluoro-N,N-Dimethylcarbamic acid 3-aminophenyl ester
3-AMINOPHENYL N,N-DIMETHYLCARBAMATE, 97VTCNeostigmine Impurity 4DTXSID50173SCHEMBL31522632LKEQZFMJKLCAEA-UHFFFAOYSA-NHMS1532C153-AMINOPHENYLDIMETHYLCARBAMATE
Database identifiers
- CAS
19962-04-0- PubChem CID
- 29877
- DTXSID
DTXSID50173753- Nikkaji
- J1.608.965F
Properties
Computed structural properties
- XLogP
- 0.9
- 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
- 182
Physicochemical properties
- Melting point
- 85 · 85-88 °C
- Boiling point
- 198 · 198-202 °C(Press: 9 Torr)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 3.69 · 3.69±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers36 total
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Related reactions
17 records
Compound notes
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