Basic information
- CAS
65274-83-1- Standard SMILES
O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(OCc1ccccc1)N1CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1- InChIKey
GBSZKJALWZOCML-LVEZLNDCSA-N- Molecular formula
- C33H39F3N4O10
- Average molar mass
- 708.7 g/mol
- Monoisotopic mass
- 708.26182794
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, phenylmethyl ester, (E)-2-butenedioate (1:2)
- IUPAC
- benzyl 4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;bis((E)-but-2-enedioic acid)
- English name
- 1-Piperazinecarboxylic acid, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-pip erazinyl)ethyl)-, phenylmethyl ester, (E)-2-butenedioate (1:2)
- Molecular formula
- C25H31F3N4O2.2C4H4O4
- Molecular weight
- 708.683
Names & synonyms
65274-83-11-Piperazinecarboxylic acid, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, phenylmethyl ester, (E)-2-butenedioate (1:2)RefChem:1056509Benzyl 4-(2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}ethyl)-1-piperazinecarboxylate (2E)-2-butenedioate (1:2)1-Piperazinecarboxylic acid, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-pip erazinyl)ethyl)-, phenylmethyl ester, (E)-2-butenedioate (1:2)
Database identifiers
- CAS
65274-83-1- PubChem CID
- 6446752
Properties
Computed structural properties
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 11
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 747
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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