N-(2,2,2-Trichloro-1-hydroxyethyl)formamide
Basic information
- CAS
515-82-2- Standard SMILES
O=CNC(O)C(Cl)(Cl)Cl- InChIKey
ACZVWYLTJHGUCP-UHFFFAOYSA-N- Molecular formula
- C3H4Cl3NO2
- Average molar mass
- 192.42 g/mol
- Monoisotopic mass
- 190.930761
Names & identifiers
- Preferred name
- N-(2,2,2-Trichloro-1-hydroxyethyl)formamide
- IUPAC
- N-(2,2,2-trichloro-1-hydroxyethyl)formamide
- English name
- N-(2,2,2-trichloro-1-hydroxyethyl)formamide
- Molecular formula
- C3H4Cl3NO2
- Molecular weight
- 192.43
Names & synonyms
ChloralformamideN-(2,2,2-Trichloro-1-hydroxyethyl)formamideChloral formamide515-82-2ChloralamideNSC-52798Formamide, N-(2,2,2-trichloro-1-hydroxyethyl)-9YX16459LE(1-Hydroxy-2,2,2-trichloroethyl)formamideN-(1-Hydroxy-2,2,2-trichloroethyl)formamideChloralformamide [USP]Chloralformamid
Show more names
N-(2,2,2-trichloro-1-hydroxy-ethyl)methanamide
UNII-9YX16459LENSC52798EINECS 208-210-6starbld0006344SCHEMBL186782CHLORAL FORMAMIDE [MI](+/-)-CHLORALFORMAMIDECHEMBL2103924
Database identifiers
- CAS
515-82-2- PubChem CID
- 71635
- DTXSID
DTXSID10875564- ChEMBL
CHEMBL2103924- UNII
- 9YX16459LE
- EC Number
- 208-210-6
- Nikkaji
- J2.626C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Depressants and Tranquilizers
Physicochemical properties
- Melting point
- 124 · 124-126°, also reported as 115-116° (Bennett, Campbell)
- Density
- 1.6344 · 1.6344 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- FDA UNII
- 9 YX16459LE · 9YX16459LE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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