Basic information
- CAS
833-68-1- Standard SMILES
CC(=O)Nc1ccc2oc(=O)ccc2c1- InChIKey
UCNNBCBFCASUHR-UHFFFAOYSA-N- Molecular formula
- C11H9NO3
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.05824315
Names & identifiers
- Preferred name
- 6-Acetamidocoumarin
- IUPAC
- N-(2-oxochromen-6-yl)acetamide
- English name
- 6-ACETAMIDOCOUMARIN
- Molecular formula
- C11H9NO3
- Molecular weight
- 203.19
Names & synonyms
6-Acetamidocoumarin6-(Acetylamino)coumarin6-Acetamido-1,2-benzopyroneCOUMARIN, 6-ACETAMIDO-N-(2-Oxo-2H-1-benzopyran-6-yl)acetamideAcetamide, N-(2-oxo-2H-1-benzopyran-6-yl)-6-Acetylamino-1,2-benzopyroneZ8WJ94V3KHNSC 73720NSC-73720BRN 0172792AI3-52496
Show more names
6-acetamido-coumariCOUMARIN,6-ACETAMIDO-n-(2-oxo-2h-1-benzopyran-6-yl)-acetamidN-(2-Oxo-2H-1-Benzopyran-6-Yl)-AcetamideAcetamide,N-(2-oxo-2H-1-benzopyran-6-yl)-N-(2-oxy-2H-1-benzenebenzopyran-6-yl)acetamide
UNII-Z8WJ94V3KHDTXSID302322565-18-11-00430 (Beilstein Handbook Reference)6-(ACETYLAMINO)-1,2-BENZOPYRONERefChem:104131DTXCID30154747Acetamide, N-(2-oxo-2H-1-benzopyran-6-yl)-(9CI)635-993-5
Database identifiers
- CAS
833-68-1- PubChem CID
- 13262
- DTXSID
DTXSID30232256- UNII
- Z8WJ94V3KH
- EC Number
- 635-993-5
- Nikkaji
- J55.418I
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 223 · 223-224 °C
- Boiling point
- 474.2 · 474.2±40.0 °C(Predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- pka
- 13.81 · 13.81±0.20(Predicted)
- FDA UNII
- 8 WJ94V3KH · Z8WJ94V3KH
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers17 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
大连硕辉医药技术有限公司18704288106 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海依赫生物科技有限公司021-68882955 17721395025 · [email protected]
成都伍源生物工程有限公司17358513851 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
Aladdin Scientific[email protected]
PNP Biotech Co. Ltd+86-18516098983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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