Basic information
- CAS
5663-56-9- Standard SMILES
COc1ccc(CC(N)=O)cc1OC- InChIKey
CUWOZWFDSYIYHL-UHFFFAOYSA-N- Molecular formula
- C10H13NO3
- Average molar mass
- 195.21 g/mol
- Monoisotopic mass
- 195.08954328
Overview
structure
Names & identifiers
- Preferred name
- 2-(3,4-Dimethoxyphenyl)acetamide
- IUPAC
- 2-(3,4-dimethoxyphenyl)acetamide
- English name
- 3,4-DIMETHOXYPHENYLACETAMIDE
- Molecular formula
- C10H13NO3
- Molecular weight
- 195.22
Names & synonyms
2-(3,4-Dimethoxyphenyl)acetamide5663-56-93,4-DimethoxyphenylacetamideBenzeneacetamide, 3,4-dimethoxy-3,4-DimethoxybenzeneacetamideX4OBB6GM5ONSC-73172DTXSID30205203RefChem:91187DTXCID90127694227-119-2homoveratramide
Show more names
Hydroquinone-C14Dopamine Impurity 30verapamil impurities954Ensefen group Impurities 13
MFCD00017141Dopamine Impurity 262-(3,4-dimethoxyphenyl)ethanamideAcetamide, 2-(3,4-dimethoxyphenyl)-EINECS 227-119-2NSC 731722-(3,4-Dimethoxy-phenyl)-acetamideBRN 2647747
Database identifiers
- CAS
5663-56-9- PubChem CID
- 79746
- DTXSID
DTXSID30205203- ChEMBL
CHEMBL1979926- UNII
- X4OBB6GM5O
- EC Number
- 227-119-2
- Nikkaji
- J127.308F
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 170 · 170-171℃
- Boiling point
- 375.5 · 375.5±32.0 °C(Predicted)
- Density
- 1.141 · 1.141
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 16.03 · 16.03±0.40(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- 1S/C10H13NO3/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H2,11,12)
- InChIKey
- CUWOZWFDSYIYHL-UHFFFAOYSA-N
- SMILES
- COc1ccc(CC(N)=O)cc1OC
- FDA UNII
- 4 OBB6GM5O · X4OBB6GM5O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-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.
GHS classification
GHS Classification
Warning
H302 (50%): 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)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- WGK 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H315-H302-H335
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers39 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Related reactions
3 records
Compound notes
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