WR 33063
Basic information
- CAS
27022-39-5- Standard SMILES
CCCCCCCN(CCCCCCC)CC(O)c1cc2ccccc2c2cc(Br)ccc12- InChIKey
BWNCHMAKZSGSMP-UHFFFAOYSA-N- Molecular formula
- C30H42BrNO
- Average molar mass
- 512.6 g/mol
- Monoisotopic mass
- 511.24498
Overview
structure given in first source; RN given refers to parent compound
Names & identifiers
- Preferred name
- WR 33063
- IUPAC
- 1-(6-bromophenanthren-9-yl)-2-(diheptylamino)ethanol
Names & synonyms
WR 330631IP26U1AXI27022-39-5WR-33,063WR-330639-Phenanthrenemethanol, 6-bromo-alpha-((diheptylamino)methyl)-RefChem:934238UNII-1IP26U1AXI1-(6-Bromo-9-phenanthryl)-2-(diheptylamino)ethanolBRN 27799709-Phenanthrenemethanol, 6-bromo-.alpha.-[(diheptylamino)methyl]-9-PHENANTHRENEMETHANOL, 6-BROMO-.ALPHA.-((DIHEPTYLAMINO)METHYL)-
Show more names
DTXSID00865333BWNCHMAKZSGSMP-UHFFFAOYSA-N(+-)-6-Bromo-alpha-((diheptylamino)methyl)-9-phenanthrenemethanol9-Phenanthrenemethanol, 6-bromo-alpha-((diheptylamino)methyl)-, (+-)-3-13-00-02046 (Beilstein Handbook Reference)GNF-Pf-2607CHEMBL1198271NIH-1577
Database identifiers
- CAS
27022-39-5、56924-18-6- PubChem CID
- 31783
- DTXSID
DTXSID00865333- ChEMBL
CHEMBL1198271- UNII
- 1IP26U1AXI
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 500
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Related reactions
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Compound notes
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