Basic information
- CAS
1521-41-1- Standard SMILES
COc1ccc(C(N)=O)cc1OC- InChIKey
XNDZRGTVUVVHQT-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- 3,4-Dimethoxybenzamide
- IUPAC
- 3,4-dimethoxybenzamide
- English name
- 3,4-Dimethoxybenzamide
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
3,4-Dimethoxybenzamide1521-41-1Benzamide, 3,4-dimethoxy-VeratramideVeratrimidic acidBRN 2646714SEW9F1FKI8EINECS 216-190-5NSC 370837UNII-SEW9F1FKI8NSC-370837SR-4191
Show more names
3,4-dimethoxy-benzamidhydrochloride,3,4 Dimethoxybenzamide,amide,3,4Dimethoxybenzamide,3,4-Dimethoxybenzamide,inhibit,Inhibitor,Itopride,morookaense,Streptoverticillium
DTXSID10745493-10-00-01427 (Beilstein Handbook Reference)34-DimethoxybenzamideRefChem:91173DTXCID60349283,4-Dimethoxybenzene-1-carboximidate216-190-53,4-Dimethoxy-benzamide
Database identifiers
- CAS
1521-41-1- PubChem CID
- 73705
- DTXSID
DTXSID1074549- ChEMBL
CHEMBL505584- UNII
- SEW9F1FKI8
- EC Number
- 216-190-5
- Nikkaji
- J206.732C
Properties
Computed structural properties
- XLogP
- 1
- 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
- 184
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 163 · 163-164℃
- Boiling point
- 278.4 · 278.4±25.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 16.15 · 16.15±0.50(Predicted)
- form
- Solid
- color
- White to off-white
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 F1FKI8 · SEW9F1FKI8
- EPA Substance Registry System
- 3 · 3,4-Dimethoxybenzamide (1521-41-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3,4-Dimethoxybenzamide is an amide isolated from a solid culture of Streptoverticillium morookaense. 3,4-Dimethoxybenzamide can be used as a starting material for the preparation of itopride hydrochloride.
Upstream & downstream products
Downstream products
Suppliers68 total
上海策嵘生物科技有限公司[email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [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]
Changzhou Helios Biomedical Science and Technology Co.,LTD.
Related reactions
3 records
Compound notes
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