Basic information
- CAS
21864-67-5- Standard SMILES
COc1cccc(OC)c1C(N)=O- InChIKey
ZAUCRONGJXRQRD-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- 2,6-Dimethoxybenzamide
- IUPAC
- 2,6-dimethoxybenzamide
- English name
- Benzamide,2,6-dimethoxy-
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
2,6-Dimethoxybenzamide21864-67-5DTXSID20879513RefChem:248432DTXCID001017523MFCD00828821BENZAMIDE,2,6-DIMETHOXY-methyl-6-methoxysalicylamideOprea1_689165SCHEMBL1030218SCHEMBL5260335ZAUCRONGJXRQRD-UHFFFAOYSA-N
Show more names
AKOS009159289BS-42471DB-025795CS-0199033E74614EN300-1275307F634270
Database identifiers
- CAS
21864-67-5- PubChem CID
- 89078
- DTXSID
DTXSID20879513- Nikkaji
- J1.605.950A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Experimental & physicochemical properties
LogP-0.22
Physicochemical properties
- Boiling point
- 302.1 · 302.1±32.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- pka
- 15.19 · 15.19±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
- HS Code
- 2924297099 · 2924297099
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
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Chemistry & industry
Suppliers13 total
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海腾准生物科技有限公司19821570922 · [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]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
禹州焓碳医药科技有限公司19963477321; 19963477321 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
8 records
Compound notes
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