Basic information
- CAS
815-18-9- Standard SMILES
CC(N)C(O)C(Cl)(Cl)Cl- InChIKey
XQPVQVUHNBBXHI-UHFFFAOYSA-N- Molecular formula
- C4H8Cl3NO
- Average molar mass
- 192.47 g/mol
- Monoisotopic mass
- 190.967147
Names & identifiers
- Preferred name
- 3-Amino-1,1,1-trichloro-2-butanol
- IUPAC
- 3-amino-1,1,1-trichlorobutan-2-ol
Names & synonyms
815-18-93-Amino-1,1,1-trichloro-2-butanolRefChem:10672752-BUTANOL, 3-AMINO-1,1,1-TRICHLORO-TCA-BU3-amino-1,1,1-trichlorobutan-2-ol3-Amino-1-trichloro-2-butanolNSC 144026BRN 1741116NSC1440262-Butanol,1,1-trichloro-3-04-00-00781 (Beilstein Handbook Reference)
Show more names
DTXSID401002017NSC-144026
Database identifiers
- CAS
815-18-9- PubChem CID
- 13151
- DTXSID
DTXSID401002017- Nikkaji
- J64.665B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 92.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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