Basic information
- CAS
17422-54-7- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)NCCCC2- InChIKey
PVXOIYWWBOZBCJ-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.08987762
Names & identifiers
- Preferred name
- 8-Nitro-2,3,4,5-tetrahydro-1H-1-benzazepine
- IUPAC
- 8-nitro-2,3,4,5-tetrahydro-1H-1-benzazepine
- English name
- 8-nitro-2,3,4,5-tetrahydro-1H-benzo[b]azepine
- Molecular formula
- C10H12N2O2
- Molecular weight
- 192.21
Names & synonyms
17422-54-78-Nitro-2,3,4,5-tetrahydro-1H-1-benzazepineDTXSID20676928RefChem:312229DTXCID206276778-Nitro-2,3,4,5-tetrahydro-1H-benzo[b]azepine1H-1-Benzazepine, 2,3,4,5-tetrahydro-8-nitro-SCHEMBL397538PVXOIYWWBOZBCJ-UHFFFAOYSA-NMFCD11036296AKOS006309114DB-064950
Show more names
2,3,4,5-Tetrahydro-8-nitro-1H-1-benzazepine
EN300-305167
Database identifiers
- CAS
17422-54-7- PubChem CID
- 46864071
- DTXSID
DTXSID20676928- Nikkaji
- J1.603.548C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 339 ℃ · 339℃
- Density
- 1.187 · 1.187
- Flash point
- 159 ℃ · 159℃
- storage temp.
- 2 · 2-8°C
- pka
- 3.68 · 3.68±0.20(Predicted)
Chemistry & industry
Suppliers8 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
22 records
Compound notes
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