Basic information
- CAS
32564-25-3- Standard SMILES
O=C(CCCCC(=O)Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1- InChIKey
AQXGDGODCOTEIA-UHFFFAOYSA-N- Molecular formula
- C18H16N2O8
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 388.09066547
Overview
structure given in first source
Names & identifiers
- Preferred name
- Bis(4-nitrophenyl) adipate
- IUPAC
- bis(4-nitrophenyl) hexanedioate
- English name
- bis(4-nitrophenyl) adipate
- Molecular formula
- C18H16N2O8
- Molecular weight
- 388.33
Names & synonyms
Bis(4-nitrophenyl) adipate32564-25-3Di-4-nitrophenyl adipateAdipic acid bis(4-nitrophenyl) esterD784P7TT5JNSC-46726Hexanedioic acid, bis(4-nitrophenyl) esterDTXSID70186264RefChem:917262DTXCID80108755Bis(4-nitrophenyl) hexanedioateNSC46726;p-Nitrophenyl adipate
Show more names
NSC46726Hexanedioic acid, 1,6-bis(4-nitrophenyl) ester
p-Nitrophenyl adipateBIS(P-NITROPHENYL) ADIPATENSC 46726bis( 4-nitrophenyl)adipateBis-(4-nitrophenyl)adipateUNII-D784P7TT5JSCHEMBL531007orb1986375
Database identifiers
- CAS
32564-25-3- PubChem CID
- 95994
- DTXSID
DTXSID70186264- UNII
- D784P7TT5J
- Nikkaji
- J1.052.520I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Melting point
- 124 °C · 124 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 580.6 · 580.6±45.0 °C(Predicted)
- Density
- 1.375 · 1.375±0.06 g/cm3(Predicted)
- FDA UNII
- 784 P7TT5J · D784P7TT5J
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…