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Basic information
- CAS
35799-28-1- Standard SMILES
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC1- InChIKey
IWWQPBHGXPDITK-UHFFFAOYSA-N- Molecular formula
- C11H13N3O3
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.09569129
Names & identifiers
- Preferred name
- N-(3-nitrophenyl)pyrrolidine-1-carboxamide
- IUPAC
- N-(3-nitrophenyl)pyrrolidine-1-carboxamide
- English name
- 1-Pyrrolidinecarboxamide,N-(3-nitrophenyl)-
- Molecular formula
- C11H13N3O3
- Molecular weight
- 235.24
Names & synonyms
N-(3-nitrophenyl)pyrrolidine-1-carboxamide35799-28-1MFCD061836671-pyrrolidinecarboxamide, N-(3-nitrophenyl)-NSC512796SCHEMBL434046DTXSID30325612IWWQPBHGXPDITK-UHFFFAOYSA-NALBB-024420STK665953AKOS005536443NSC-512796
Show more names
1-Pyrrolidinecarboxamide,N-(3-nitrophenyl)-
N-(3-nitrophenyl)pyrrolidinylcarboxamideLS-07974DB-172638N-(3-nitrophenyl)-1-pyrrolidinecarboxamideST4148506CS-0287156F94793pyrrolidine-1-carboxylic acid (3-nitro phenyl)-amide
Database identifiers
- CAS
35799-28-1- PubChem CID
- 350596
- DTXSID
DTXSID30325612
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 452.4 · 452.4±37.0 °C(Predicted)
- Density
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- pka
- 12.03 · 12.03±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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