Basic information
- CAS
16851-69-7- Standard SMILES
CC(=O)N(CC(=O)O)c1ccccc1C(=O)O- InChIKey
FNGUNMBDSHTTEZ-UHFFFAOYSA-N- Molecular formula
- C11H11NO5
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.06372245
Names & identifiers
- Preferred name
- 2-[Acetyl(carboxymethyl)amino]benzoic acid
- IUPAC
- 2-[acetyl(carboxymethyl)amino]benzoic acid
- English name
- 2-(Acetyl-carboxymethyl-amino)-benzoic acid
- Molecular formula
- C11H11NO5
- Molecular weight
- 237.21
Names & synonyms
16851-69-72-(N-(Carboxymethyl)acetamido)benzoic acid2-[acetyl(carboxymethyl)amino]benzoic acid2-[N-(CARBOXYMETHYL)ACETAMIDO]BENZOIC ACIDMLS000104601Maybridge3_006684Cambridge id 5236067Oprea1_542515Oprea1_816009SCHEMBL1051805CHEMBL1723692DTXSID101351029
Show more names
N-Acetyl-N-(carboxymethyl)anthranilic acid2-(Acetyl-carboxymethyl-amino)-benzoic acidBenzoic acid, 2-(acetyl(carboxymethyl)amino)-
HMS1449P18HMS2280D11STK019191AKOS005378659AC-5975CCG-245223IDI1_018071SMR000054534
Database identifiers
- CAS
16851-69-7- PubChem CID
- 715146
- DTXSID
DTXSID101351029- ChEMBL
CHEMBL1723692
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 211 ℃ · 211℃
- Boiling point
- 509.7 · 509.7±35.0 °C(Predicted)
- Density
- 1.44 · 1.440
- pka
- 3.34 · 3.34±0.36(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
常州艾菲森化工科技有限公司18136598690 18136597130
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
南京克罗托鲁宁医药科技有限公司13382066392
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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