Basic information
- CAS
94266-17-8- Standard SMILES
Cc1cc(C(C)(C)C)cc(C)c1CC(=O)NCCN- InChIKey
ZETWQXPEVKRTDM-UHFFFAOYSA-N- Molecular formula
- C16H26N2O
- Average molar mass
- 262.39 g/mol
- Monoisotopic mass
- 262.20451346
Names & identifiers
- Preferred name
- N-(2-Aminoethyl)-4-(1,1-dimethylethyl)-2,6-dimethylbenzeneacetamide
- IUPAC
- N-(2-aminoethyl)-2-(4-tert-butyl-2,6-dimethylphenyl)acetamide
- English name
- N-(2-aminoethyl)-4-tert-butyl-2,6-xylylacetamide
- Molecular formula
- C16H26N2O
- Molecular weight
- 262.39
Names & synonyms
94266-17-8N-(2-Aminoethyl)-4-tert-butyl-2,6-xylylacetamideN-(2-Aminoethyl)-4-(1,1-dimethylethyl)-2,6-dimethylbenzeneacetamideN-(2-Aminoethyl)-2-(4-(tert-butyl)-2,6-dimethylphenyl)acetamideC35A4W5KUDDTXSID70241322RefChem:1090962DTXCID70163813304-422-9N-(2-aminoethyl)-2-(4-tert-butyl-2,6-dimethylphenyl)acetamideXylometazoline EP Impurity AEINECS 304-422-9
Show more names
Xylazoline EP Impurity AXyloMetazoline HCl IMpurity AXylometazoline Impurity 1（Xylometazoline EP Impurity A）N-(2-Aminoethyl)-4-tert-butyl-2,6-dimethylbenzeneacetamideBenzeneacetamide, N-(2-aminoethyl)-4-(1,1-dimethylethyl)-2,6-dimethyl-N-(2-Aminoethyl)-2-[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]acetamideN-(2-Aminoethyl)-2-(4-(tert-butyl)-2,6-dimethylphenyl)acetamide (Xylometazoline Impurity)
Benzeneacetamide, N-(2-aminoethyl)-4-(1,1-dimethylethyl)-2,6-dimethyl-; N-(2-Aminoethyl)-4-(1,1-dimethylethyl)-2,6-dimethylbenzeneacetamide; N-(2-Aminoethyl)-2-[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]acetamide; Xylometazoline Imp. A (EP); Xylometazoline Rel. Comp. A (USP); N-(2-Aminoethyl)-2-[4-(tert-butyl)-2,6-dimethylphenyl]acetamidestarbld0018100Xylometazoline impurity AUNII-C35A4W5KUDXylometazoline impurity A CRSSCHEMBL3297389ZETWQXPEVKRTDM-UHFFFAOYSA-NFA17733
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 440.5 · 440.5±45.0 °C(Predicted)
- Density
- 0.993 · 0.993±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 15.4 · 15.40±0.46(Predicted)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C16H26N2O/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15(19)18-7-6-17/h8-9H,6-7,10,17H2,1-5H3,(H,18,19)
- InChIKey
- ZETWQXPEVKRTDM-UHFFFAOYSA-N
- SMILES
- N(CCN)C(=O)Cc1c(cc(cc1C)C(C)(C)C)C
- FDA UNII
- 35 A4W5KUD · C35A4W5KUD
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- WGK 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2924296000
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P330+P331+P310
Chemistry & industry
Applications
UsesA possible metabolite of Xylometazoline (X749950).
Suppliers22 total
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [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]
孟成科技（上海）有限公司400-820-6829 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
成都迈斯克医药科技有限公司028-84552636 18084815636 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…