2-(Diheptylamino)-1-phenanthren-3-ylethanol;hydrochloride
Basic information
- CAS
7499-03-8- Standard SMILES
CCCCCCCN(CCCCCCC)CC(O)c1ccc2ccc3ccccc3c2c1.Cl- InChIKey
MQQIAJLQKKHWCF-UHFFFAOYSA-N- Molecular formula
- C30H44ClNO
- Average molar mass
- 470.1 g/mol
- Monoisotopic mass
- 469.3111427
Names & identifiers
- Preferred name
- 2-(Diheptylamino)-1-phenanthren-3-ylethanol;hydrochloride
- IUPAC
- 2-(diheptylamino)-1-phenanthren-3-ylethanol;hydrochloride
Names & synonyms
7499-03-8DTXSID90639722NSC407512NSC-4075122-(Diheptylamino)-1-(phenanthren-3-yl)ethan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
7499-03-8- PubChem CID
- 24201271
- DTXSID
DTXSID90639722
Properties
Computed structural properties
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 465
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Compound notes
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