Basic information
- CAS
169205-77-0- Standard SMILES
O=[N+]([O-])c1ccc2ncnc(Nc3cccc(Br)c3)c2c1- InChIKey
MAVKGSSRIBVAGI-UHFFFAOYSA-N- Molecular formula
- C14H9BrN4O2
- Average molar mass
- 345.15 g/mol
- Monoisotopic mass
- 343.99089
Names & identifiers
- Preferred name
- N-(3-Bromophenyl)-6-nitroquinazolin-4-amine
- IUPAC
- N-(3-bromophenyl)-6-nitroquinazolin-4-amine
- English name
- (3-BROMOPHENYL)-(6-NITROQUINAZOLIN-4-YL)AMINE
- Molecular formula
- C14H9BrN4O2
- Molecular weight
- 345.15
Names & synonyms
N-(3-Bromophenyl)-6-nitroquinazolin-4-amine169205-77-0C14H9BrN4O2MFCD11109844(3-BROMOPHENYL)-(6-NITROQUINAZOLIN-4-YL)AMINECHEMBL3291614-Quinazolinamine, N-(3-bromophenyl)-6-nitro-3-Bromo-N-(6-nitro-4-quinazolinyl)aniline4-[(3-bromophenyl)amino)-6-nitroquinazoline4-[(3-bromophenyl)amino]-6-nitroquinazolinenchembio866-comp22N-(3-bromophenyl)-6-nitro-quinazolin-4-amine
Show more names
N-(3-bromophenyl)-6-nitro-4-Quinazolinamine(3-Bromo-phenyl)-(6-nitro-quinazolin-4-yl)-amineBDBM3293SCHEMBL32446214-Anilinoquinazoline deriv. 44SCHEMBL30552991DTXSID80416140MAVKGSSRIBVAGI-UHFFFAOYSA-N
Database identifiers
- CAS
169205-77-0- PubChem CID
- 5328041
- DTXSID
DTXSID80416140- ChEMBL
CHEMBL329161- Nikkaji
- J715.828I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Melting point
- 267 · 267-270 °C
- Boiling point
- 495.8 · 495.8±40.0 °C(Predicted)
- Density
- 1.691 · 1.691
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 5.55 · 5.55±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers33 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
Asset Chem-Tech Co., Ltd15965823333
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
上海平创化工科技有限公司15001988657 15802146997
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
苏州启航生物科技有限公司18151111370
赛纳斯特化学（欢迎点击联系）021-60343070
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
上海技毅生物科技有限公司13621943973 · [email protected]
衢州爱美康生物科技有限公司0570-3081766 18357083060 · [email protected]
晶墨(厦门)生物科技有限公司13621943973; 13621943973 · [email protected]
Related reactions
21 records
Compound notes
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