N-Phenylcholest-5-en-3-amine
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Basic information
- CAS
7510-04-5- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4CC(Nc5ccccc5)CCC4(C)C3CCC12C- InChIKey
QLUKVXBTMCXYMC-UHFFFAOYSA-N- Molecular formula
- C33H51N
- Average molar mass
- 461.8 g/mol
- Monoisotopic mass
- 461.40215063
Names & identifiers
- Preferred name
- N-Phenylcholest-5-en-3-amine
- IUPAC
- 10,13-dimethyl-17-(6-methylheptan-2-yl)-N-phenyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
- English name
- 5-CHOLESTEN-3BETA-[N-PHENYL]AMINE
- Molecular formula
- C33H51N
- Molecular weight
- 461.76
Names & synonyms
7510-04-5N-Phenylcholest-5-en-3-amine10,13-dimethyl-17-(6-methylheptan-2-yl)-N-phenyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amineCHOLESTERYL ANILINE5-CHOLESTEN-3BETA-[N-PHENYL]AMINENSC406017DTXSID70324205NSC-406017N-CHOLESTERYL ANILINEN-Phenyl-5-cholesten-3β-amine5-Cholesten-3β-(N-phenyl)amine5-Cholestene-3β-(N-phenyl)amine
Show more names
N-PHENYL-5-CHOLESTEN-3BETA-AMINECholest-5-en-3-amine, N-phenyl-, (3β)- (9CI)5-Cholesten-3β-(N-phenyl)amine, 5-Cholestene-3β-(N-phenyl)amine, N-Phenyl-5-cholesten-3β-amine
Database identifiers
- CAS
7510-04-5- PubChem CID
- 347370
- DTXSID
DTXSID70324205
Properties
Computed structural propertiesFilling in
- XLogP
- 10.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 716
Physicochemical properties
- Melting point
- 184 · 184-185 °C
- Boiling point
- 560.3 · 560.3±29.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.6 · 5.60±0.70(Predicted)
Chemistry & industry
Applications
UsesCholesterylaniline is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Related reactions
0 records
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Compound notes
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