Basic information
- CAS
5407-25-0- Standard SMILES
NC(C(=O)O)c1ccc([N+](=O)[O-])cc1- InChIKey
XCVDAQWKJUCVHJ-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.04840674
Names & identifiers
- Preferred name
- 2-Amino-2-(4-nitrophenyl)acetic acid
- IUPAC
- 2-amino-2-(4-nitrophenyl)acetic acid
- English name
- AMINO-(4-NITRO-PHENYL)-ACETIC ACID
- Molecular formula
- C8H8N2O4
- Molecular weight
- 196.16
Names & synonyms
2-amino-2-(4-nitrophenyl)acetic acid5407-25-0DTXSID30277965RefChem:1062132DTXCID50229123Amino-(4-nitro-phenyl)-acetic acidMFCD05662742a-Amino-4-nitro-benzeneacetic acidamino(4-nitrophenyl)acetic acidMFCD06858443Amino-(4-nitrophenyl)acetic acidNSC5401
Show more names
RS-4-Nitro-PhenylglycineBenzeneacetic acid, α-amino-4-nitro-Benzeneacetic acid, a-aMino-4-nitro-2-azanyl-2-(4-nitrophenyl)ethanoic acid
SCHEMBL2628065CHEMBL4066560XCVDAQWKJUCVHJ-UHFFFAOYSA-N(+/-)-2-(4-nitrophenyl)glycineNSC-54012-amino-2-(4-nitrophenyl)aceticacidAKOS006292963SY299225
Database identifiers
- CAS
5407-25-0- PubChem CID
- 221192
- DTXSID
DTXSID30277965- ChEMBL
CHEMBL4066560- Nikkaji
- J3.318.494H
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 398.418 · 398.418±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.473 · 1.473±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.502 · 1.502±0.10(predicted)
Chemistry & industry
Suppliers14 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Nextpeptide Inc
Related reactions
2 records
Compound notes
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