2-Aminophenyl N,N-dimethylsulfamate
Basic information
- CAS
73927-03-4- Standard SMILES
CN(C)S(=O)(=O)Oc1ccccc1N- InChIKey
YOFUDCNRYWXWSA-UHFFFAOYSA-N- Molecular formula
- C8H12N2O3S
- Average molar mass
- 216.26 g/mol
- Monoisotopic mass
- 216.05686342
Names & identifiers
- Preferred name
- 2-Aminophenyl N,N-dimethylsulfamate
- IUPAC
- (2-aminophenyl) N,N-dimethylsulfamate
- English name
- N,N-Dimethylsulfamic acid o-aminophenyl ester
- Molecular formula
- C8H12N2O3S
- Molecular weight
- 216.26
Names & synonyms
73927-03-4Sulfamic acid, N,N-dimethyl-, o-aminophenyl ester2-Aminophenyl N,N-dimethylsulfamateVR4TYC44MNNSC-222667DTXSID90224531RefChem:1062254DTXCID20147022N,N-Dimethylsulfamic acid o-aminophenyl estero-Aminophenyl dimethylsulfamate2-aminophenyl dimethylsulfamateNSC 222667
Show more names
Sulfamic acid, N,N-dimethyl-, 2-aminophenyl ester
Sulfamic acid, dimethyl-, 2-aminophenyl esterSCHEMBL11439670Sulfamic acid, 2-aminophenyl esterNSC222667Sulfamic acid,N-dimethyl-, o-aminophenyl ester
Database identifiers
- CAS
73927-03-4- PubChem CID
- 99435
- DTXSID
DTXSID90224531- UNII
- VR4TYC44MN
- Nikkaji
- J90.610G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 345.3 · 345.3±44.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- pka
- 2.23 · 2.23±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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