Basic information
- CAS
21667-05-0- Standard SMILES
Oc1ccc(N(CCBr)CCBr)cc1- InChIKey
SVMALHWUCBPBFC-UHFFFAOYSA-N- Molecular formula
- C10H13Br2NO
- Average molar mass
- 323.02 g/mol
- Monoisotopic mass
- 320.93639
Names & identifiers
- Preferred name
- Phenol, p-(bis(2-bromoethyl)amino)-
- IUPAC
- 4-[bis(2-bromoethyl)amino]phenol
- English name
- p-(Bis(2-bromoethyl)amino)phenol
- Molecular formula
- C10H13Br2NO
- Molecular weight
- 323.02
Names & synonyms
21667-05-0Phenol, p-(bis(2-bromoethyl)amino)-BRN 3051875p-(Bis(2-bromoethyl)amino)phenolDTXSID001760523-13-00-01012 (Beilstein Handbook Reference)RefChem:369412DTXCID10985434-[bis(2-bromoethyl)amino]phenolCHEMBL145988SCHEMBL31670529DB-380465
Show more names
Phenol, 4-[bis(2-bromoethyl)amino]-
Database identifiers
- CAS
21667-05-0- PubChem CID
- 89007
- DTXSID
DTXSID00176052- ChEMBL
CHEMBL145988- Nikkaji
- J50.090I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 406.8 · 406.8±40.0 °C(Predicted)
- Density
- 1.743 · 1.743±0.06 g/cm3(Predicted)
- pka
- 10.08 · 10.08±0.15(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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