Basic information
- CAS
136587-00-3- Standard SMILES
CCCC(CCC(=O)OC(C)(C)C)(CCC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[N+](=O)[O-]- InChIKey
HEEWPHZICGIVFP-UHFFFAOYSA-N- Molecular formula
- C24H43NO8
- Average molar mass
- 473.6 g/mol
- Monoisotopic mass
- 473.29886733
Names & identifiers
- Preferred name
- Tri-tert-butyl 4-nitro-4-propylhexane-1,1,6-tricarboxylate
- IUPAC
- tritert-butyl 4-nitro-4-propylhexane-1,1,6-tricarboxylate
- English name
- Di-t-butyl 4-[2-(t-butoxycarbonyl)ethyl]-4-nitroheptanedicarboxylate
- Molecular formula
- C22H39NO8
- Molecular weight
- 445.55
Names & synonyms
SCHEMBL1361093DTXSID30593753tritert-butyl 4-nitro-4-propylhexane-1,1,6-tricarboxylateTri-tert-butyl 4-nitro-4-propylhexane-1,1,6-tricarboxylateNITROTRIESTERDI-TERT-BUTYL-4-NITRO-4-(2-BOC ETHYL)HEPTANEDIOATEDI-TERT-BUTYL 4-NITRO-4-(2-TERT-BUTOXYCARBONYLETHYL)HEPTANEDIOATEDi-tert-butyl 4-(3-(tert-butoxy)-3-oxopropyl)-4-nitroheptanedioate4-nitro-4-propylhexane-1,1,6-tricarboxylic acid tritert-butyl esterNitrotriester or Di-tert-Butyl-4-nitro-4-(2-Boc ethyl)heptanedioateDi-t-butyl 4-[2-(t-butoxycarbonyl)ethyl]-4-nitroheptanedicarboxylate4-(2-tert-butoxycarbonylethyl)-4-nitro-heptanedioic acid ditert-butyl ester
Show more names
Heptanedioic acid, 4-[3-(1,1-dimethylethoxy)-3-oxopropyl]-4-nitro-, 1,7-bis(1,1-dimethylethyl) ester
Database identifiers
- CAS
136587-00-3- PubChem CID
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 663
Physicochemical properties
- Boiling point
- 503.5 · 503.5±50.0 °C(Predicted)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers6 total
湖北恩星生物科技有限公司16621771607 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
天津研楷科技有限公司18500985499 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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