Basic information
- CAS
7520-69-6- Standard SMILES
COC/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1- InChIKey
RMKSZKNEPFLURM-VZUCSPMQSA-N- Molecular formula
- C14H17NO4
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.11575802
Names & identifiers
- Preferred name
- 2-(Methoxymethyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile
- IUPAC
- (E)-2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
- English name
- 3,4,5-Trimethoxy-2-(methoxymethyl)cinnamonitrile
- Molecular formula
- C14H17NO4
- Molecular weight
- 263.29
Names & synonyms
7520-69-62-(Methoxymethyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrileEINECS 231-378-7RefChem:254259231-378-73,4,5-Trimethoxy-2-(methoxymethyl)cinnamonitrileRMKSZKNEPFLURM-VZUCSPMQSA-N3,4,5-Trimethoxy-alpha-(methoxymethyl)cinnamonitrile; 2-(Methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-2-propenenitrile;alpha-(3,4,5-Trimethoxybenzylidene)-beta-methoxypropylnitrileAKOS015963239AC-20054NS00047087
Show more names
Trimethoprim Impurity 63,4,5-TriMethoxy-α-(MethoxyMethyl)cinnaMonitrileα-(3,4,5-Trimethoxybenzylidene)-β-methoxypropylnitrile2-(Methoxymethyl)-3-(3,4,5-trimethoxyphenyl)propenenitrile2-(Methoxymethyl)-3-(3,4,5-Trimethoxyphenyl)-2-Propenenitrile(e)-2-(Methoxymethyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile2-PROPENENITRILE,2-(METHOXYMETHYL)-3-(3,4,5-TRIMETHOXYPHENYL)-(E)-3-[3,4,5-trimethoxy-2-(methoxymethyl)phenyl]-2-propenenitrile
a-(3,4,5-Trimethoxybenzylidene)-b-methoxypropylnitrile
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 81 · 81 - 83°C
- Boiling point
- 428.7 · 428.7±45.0 °C(Predicted)
- Density
- 1.12 · 1.120±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
UsesTrimethoprim intermediate.
Suppliers9 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [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]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
青岛浩海安杰医药科技有限公司156-6622-8711 18639325623 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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