Triethylamine, 2-(p-(6-(p-chlorophenyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)phenoxy)-, citrate, hemihydrate
Basic information
- CAS
14097-32-6- Standard SMILES
CCN(CC)CCOc1ccc(C2c3ccccc3CCCC2c2ccc(Cl)cc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
KAXSIQDDTQOVSX-UHFFFAOYSA-N- Molecular formula
- C35H42ClNO8
- Average molar mass
- 640.2 g/mol
- Monoisotopic mass
- 639.259895
Names & identifiers
- Preferred name
- Triethylamine, 2-(p-(6-(p-chlorophenyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)phenoxy)-, citrate, hemihydrate
- IUPAC
- 2-[4-[6-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
14097-32-6Triethylamine, 2-(p-(6-(p-chlorophenyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)phenoxy)-, citrate, hemihydrateDTXSID109309652-Hydroxypropane-1,2,3-tricarboxylic acid--2-{4-[6-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]phenoxy}-N,N-diethylethan-1-amine (1/1)
Database identifiers
- CAS
14097-32-6- PubChem CID
- 203253
- DTXSID
DTXSID10930965
Properties
Computed structural properties
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 749
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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