Basic information
- CAS
1289386-01-1- Standard SMILES
CC(C)(C)OC(=O)NC1CCC(Nc2ncccc2[N+](=O)[O-])CC1- InChIKey
CSASRJFSOBYKCA-HAQNSBGRSA-N- Molecular formula
- C16H24N4O4
- Average molar mass
- 336.39 g/mol
- Monoisotopic mass
- 336.17975526
Names & identifiers
- Preferred name
- tert-Butyl (trans-4-((3-nitropyridin-2-yl)amino)cyclohexyl)carbamate
- IUPAC
- tert-butyl N-[4-[(3-nitro-2-pyridinyl)amino]cyclohexyl]carbamate
- English name
- (1R,4R)-[4-(3-Nitro-pyridin-2-ylaMino)-cyclohexyl]-carbaMic acid tert-butyl ester
- Molecular formula
- C16H24N4O4
- Molecular weight
- 336.39
Names & synonyms
1289386-01-1tert-Butyl (trans-4-((3-nitropyridin-2-yl)amino)cyclohexyl)carbamatetert-butyl N-[4-[(3-nitropyridin-2-yl)amino]cyclohexyl]carbamatetert-Butyl ((1r,4r)-4-((3-nitropyridin-2-yl)amino)cyclohexyl)carbamatetert-Butyl {(1r,4r)-4-[(3-nitropyridin-2-yl)amino]cyclohexyl}carbamateSCHEMBL15289219CSASRJFSOBYKCA-UHFFFAOYSA-NDTXSID901121189SBB075615AKOS015940815tert-Butyl(trans-4-((3-nitropyridin-2-yl)amino)cyclohexyl)carbamate(tert-butoxy)-N-{4-[(3-nitro(2-pyridyl))amino]cyclohexyl}carboxamide
Show more names
(1R,4R)-[4-(3-Nitro-pyridin-2-ylaMino)-cyclohexyl]-carbaMic acid tert-butyl ester
Carbamic acid, N-[trans-4-[(3-nitro-2-pyridinyl)amino]cyclohexyl]-, 1,1-dimethylethyl ester
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Boiling point
- 503.742 · 503.742±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.219 · 1.219±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.306 · 12.306±0.40(predicted)
Chemistry & industry
Suppliers4 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南奥思特医药科技有限公司0531-59840128 19353175568 · [email protected]
Related reactions
1 records
Compound notes
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