Basic information
- CAS
579-93-1- Standard SMILES
O=C(Nc1ccccc1C(=O)O)c1ccccc1- InChIKey
WXVLIIDDWFGYCV-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Overview
N-benzoylanthranilic acid is an amidobenzoic acid comprising benzoic acid having a benzamido group at the 2-position. It is functionally related to an anthranilic acid. It is a conjugate acid of a N-benzoylanthranilate.
Names & identifiers
- Preferred name
- 2-(Benzoylamino)benzoic acid
- IUPAC
- 2-benzamidobenzoic acid
- English name
- N-Benzoylanthranilicacid
- Molecular formula
- C14H11NO3
- Molecular weight
- 241.24
Names & synonyms
2-(Benzoylamino)benzoic acid2-benzamidobenzoic acidN-Benzoylanthranilic aciddianthramid BBenzoic acid, 2-(benzoylamino)-2'-Carboxybenzanilide2-Benzoylamino-benzoic acidBenzoylanthranilic acidAnthranilic acid, N-benzoyl-N-BENZOYLANTHRANILICACIDMFCD00444173N-(2-Carboxyphenyl)benzamide
Show more names
2-(Benzoylamino)N-Benzoylanthanilic acid2-(phenylcarbonylamino)benzoic acid
MLS000067165NSC-38662-[(phenylcarbonyl)amino]benzoic acidSMR000124671DIANTHRAMIDE Bbenzoyl anthranilic acid2-Benzoylaminobenzoic acidN-(2-Carboxyphenyl
Database identifiers
- CAS
579-93-1- PubChem CID
- 68482
- DTXSID
DTXSID40206620- ChEMBL
CHEMBL198666- ChEBI
CHEBI:50037- UNII
- 6085493379
- Nikkaji
- J95.762C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Experimental & physicochemical properties
LogP3.54
Solubilityslightly
Boiling Point341.00 to 342.00 °C. @ 760.00 mm Hg
Melting Point183.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Melting point
- 178 °C · 178 °C
- Boiling point
- 341.9 · 341.9±25.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- FEMA
- 4078 · 4078 | N-BENZOYLANTHRANILIC ACID
- FLAVIS Number
- 16.087 · 16.087 | Dianthramid B
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.48 · 3.48±0.36(Predicted)
- Odor
- fruity
- Appearance
- White to off-white Solid
- Odor Type
- fruity
- JECFA Number
- 1552 · 1552
- Major Application
- flavors and fragrances
- InChI
- 1S/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)
- InChIKey
- WXVLIIDDWFGYCV-UHFFFAOYSA-N
- SMILES
- N(c2c(cccc2)C(=O)O)C(=O)c1ccccc1
- LogP
- 3.42 · 3.42
- Substances Added to Food (formerly EAFUS)
- N-BENZOYLANTHRANILIC ACID
- FDA UNII
- 6085493379 · 6085493379
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- WGK Germany
- 2 · WGK 2
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
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
- wgk
- WGK 2
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H332-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
Usesflavors and fragrances
Upstream & downstream products
Upstream raw materials
Suppliers53 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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赛纳斯特化学（欢迎点击联系）021-60343070
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BOC Sciences[email protected]
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Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
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江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
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济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
武汉德克瑞生物医药科技有限公司027-69573188 18221423799 · [email protected]
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上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
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上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Additional notes
DefinitionChEBI: An amidobenzoic acid comprising benzoic acid having a benzamido group at the 2-position.
Related reactions
3 records
Compound notes
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