Basic information
- CAS
35340-63-7- Standard SMILES
O=C(O)CCCNC(=O)c1ccccc1- InChIKey
BOZHPKGNNJPZKV-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- Butanoic acid, 4-(benzoylamino)-
- IUPAC
- 4-benzamidobutanoic acid
- English name
- 4-(Benzoylamino)butyric acid
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
4-(Benzoylamino)butanoic acidButanoic acid, 4-(benzoylamino)-4-Benzamidobutyric acidgamma-Benzoylaminobutyric acid4-Benzoylaminobutyric acidBUTYRIC ACID, 4-BENZAMIDO-DF 470BRN 1877942DTXSID001888374-09-00-00799 (Beilstein Handbook Reference)RefChem:330880DTXCID60111328
Show more names
DF-4704-(N-Benzoylamino)butanoic acid4-(phenylcarbonylamino)butanoic acid
Butanoic acid, 4-(benzoylamino)-(9CI)4-benzamidobutanoic acid35340-63-74-(phenylformamido)butanoic acid4-(Benzoylamino)butyric acidMFCD00459545Butanoic acid, 4-(benzoylamino)- (9CI)4-[(phenylcarbonyl)amino]butanoic acid
Database identifiers
- CAS
35340-63-7- PubChem CID
- 37118
- DTXSID
DTXSID00188837- ChEMBL
CHEMBL122303- EC Number
- 998-001-2
- Nikkaji
- J35.108C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 80 °C · 80 °C
- Boiling point
- 484.3 · 484.3±28.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.65 · 4.65±0.10(Predicted)
- Appearance
- White to light yellow Solid
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P302+P352-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers27 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306
上海高蹈医药科技有限公司021-15001867143 15001867143 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
南京诺希生物科技有限公司025-85767923 18512596075
Related reactions
2 records
Compound notes
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