1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol
Basic information
- CAS
7770-23-2- Standard SMILES
CC12CCC(C(S(=O)(=O)O)C1=O)C2(C)C.CCCCCN(CCCCC)CC(O)c1ccc2cc(Br)c3ccccc3c2c1- InChIKey
JUTVGQLRNONHGK-UHFFFAOYSA-N- Molecular formula
- C36H50BrNO5S
- Average molar mass
- 688.8 g/mol
- Monoisotopic mass
- 687.25931
Names & identifiers
- Preferred name
- 1-(9-Bromophenanthren-3-yl)-2-(dipentylamino)ethanol
- IUPAC
- 1-(9-bromophenanthren-3-yl)-2-(dipentylamino)ethanol;4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid
Names & synonyms
7770-23-2NSC400705DTXSID50322224NSC-400705DS-0081001-(9-bromophenanthren-3-yl)-2-(dipentylamino)ethanol4,7,7-Trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonic acid--1-(9-bromophenanthren-3-yl)-2-(dipentylamino)ethan-1-ol (1/1)
Database identifiers
- CAS
7770-23-2- PubChem CID
- 344036
- DTXSID
DTXSID50322224
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 865
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Compound notes
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