Basic information
- CAS
23563-26-0- Standard SMILES
CCCCOc1ccc(NC(C)=O)cc1- InChIKey
JYMFGHFNWSMPBP-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Acetamide, N-(4-butoxyphenyl)-
- IUPAC
- N-(4-butoxyphenyl)acetamide
- English name
- 4-BUTOXYACETANILIDE
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
N-(4-Butoxyphenyl)acetamideAcetamide, N-(4-butoxyphenyl)-EINECS 245-739-1DTXSID9066910RefChem:108844DTXCID0036899245-739-123563-26-04-ButoxyacetanilideMFCD000271974'-butoxyacetanilide4-n-Butoxyacetanilide
Show more names
O-Butyl paracetamol4-Butoxyacetanilide,97%4-n-Butoxyacetanilide, 98%n-(4-butoxyphenyl)-acetamid
SCHEMBL3223930SCHEMBL6468942SCHEMBL7495425CHEMBL4568062JYMFGHFNWSMPBP-UHFFFAOYSA-NSBB093903STL065495AKOS000499518
Database identifiers
- CAS
23563-26-0- PubChem CID
- 90165
- DTXSID
DTXSID9066910- ChEMBL
CHEMBL4568062- EC Number
- 245-739-1
- Nikkaji
- J229.001D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 100 · 100-114 °C (lit.)
- Boiling point
- 346.3 °C · 346.3°C (rough estimate)
- Density
- 1.0681 · 1.0681 (rough estimate)
- refractive index
- 1.522 · 1.5220 (estimate)
- form
- solid
- InChI
- 1S/C12H17NO2/c1-3-4-9-15-12-7-5-11(6-8-12)13-10(2)14/h5-8H,3-4,9H2,1-2H3,(H,13,14)
- InChIKey
- JYMFGHFNWSMPBP-UHFFFAOYSA-N
- SMILES
- CCCCOc1ccc(NC(C)=O)cc1
- EPA Substance Registry System
- Acetamide, N-(4-butoxyphenyl)- (23563-26-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 280 · P280
- PPE
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29242998
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P280
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-(4-butoxyphenyl)-: INACTIVE
Suppliers21 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
郑州康弗辰医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…