Basic information
- CAS
3413-59-0- Standard SMILES
CCCCOc1ccc(CC(N)=O)cc1- InChIKey
RSMPEQBSFXBQMJ-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-Butoxybenzeneacetamide
- IUPAC
- 2-(4-butoxyphenyl)acetamide
- English name
- (4-BUTOXYPHENYL)ACETAMIDE
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
3413-59-04-Butoxyphenylacetamide4-Butoxybenzeneacetamidep-ButoxyphenylacetamideAcetamide, 2-(p-butoxyphenyl)-JC2L3FG3VEDTXSID10187715RefChem:98236para-butoxyphenylacetamide4-BPAADTXCID70110206222-303-9
Show more names
Butoxyphenylacetamide4-butoxy-benzeneacetamid2-(p-butoxyphenyl)-acetamid
2-(4-Butoxyphenyl)acetamide(4-Butoxyphenyl)acetamideBufexamac EP Impurity DBufexamac impurity D CRSCHEMBL3456362-(p-Butoxyphenyl)acetamideBenzeneacetamide, 4-butoxy-EINECS 222-303-9
Database identifiers
- CAS
3413-59-0- PubChem CID
- 76952
- DTXSID
DTXSID10187715- ChEMBL
CHEMBL345636- UNII
- JC2L3FG3VE
- EC Number
- 222-303-9
- Nikkaji
- J205.516C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 185 · 185-187°C
- Boiling point
- 384.4 · 384.4±25.0 °C(Predicted)
- Density
- 1.054 · 1.054±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 16.27 · 16.27±0.40(Predicted)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C12H17NO2/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H2,13,14)
- InChIKey
- RSMPEQBSFXBQMJ-UHFFFAOYSA-N
- SMILES
- NC(=O)Cc1ccc(cc1)OCCCC
- FDA UNII
- 2 L3FG3VE · JC2L3FG3VE
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesBufexamac impurity D EP Reference standard, intended for use in laboratory tests only as specifically prescribed in the European Pharmacopoeia.
Suppliers12 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Chembon Pharmaceutical Co., Ltd.+86-28-8425-2981
武汉弘德悦欣医药科技有限公司027-83855393 15827063722 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [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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