Basic information
- CAS
4223-03-4- Standard SMILES
C=CC(=O)NC(C)(C)CC(C)(C)C- InChIKey
YRDNVESFWXDNSI-UHFFFAOYSA-N- Molecular formula
- C11H21NO
- Average molar mass
- 183.29 g/mol
- Monoisotopic mass
- 183.16231429
Names & identifiers
- Preferred name
- N-tert-Octylacrylamide
- IUPAC
- N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
- English name
- N-TERT-OCTYLACRYLAMIDE
- Molecular formula
- C11H21NO
- Molecular weight
- 183.29
Names & synonyms
N-tert-Octylacrylamidetert-OctylacrylamideN-(1,1,3,3-Tetramethylbutyl)acrylamide2-Propenamide, N-(1,1,3,3-tetramethylbutyl)-0U7G677BFRAcrylamide, N-(1,1,3,3-tetramethylbutyl)-NSC-9035N-(1,1,3,3-Tetramethylbutyl)-2-propenamideUNII-0U7G677BFRDTXSID5027564NSC 9035EINECS 224-169-7
Show more names
TOAOctylacrylamideT-OCTYLACRYLAMIDERiociguat Impurity 46TERTIARY-OCTYL ACRYLAMIDEN-Tert-octylacrylamide(TOA)N-TERTIARY OCTYL ACRYLAMIDE (TOA)
BRN 1759951AI3-26325ACRYLAMIDE, N-(5,5-DIMETHYLHEXYL)-2-Propenamide, N-1,1,3,3-tetramethylbutyl-EC 224-169-74-04-00-00772 (Beilstein Handbook Reference)RefChem:164256DTXCID107564
Database identifiers
- CAS
4223-03-4- PubChem CID
- 171970
- DTXSID
DTXSID5027564- UNII
- 0U7G677BFR
- EC Number
- 224-169-7
- Nikkaji
- J205.646A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 63 · 63-64°C
- Boiling point
- 289.6 · 289.6±13.0 °C(Predicted)
- Density
- 0.867 · 0.867±0.06 g/cm3(Predicted)
- vapor pressure
- 0.064 Pa · 0.064Pa at 20℃
- solubility
- soluble in Methanol
- form
- powder to lump
- pka
- 15.1 · 15.10±0.46(Predicted)
- color
- White to Orange to Green
- Water Solubility
- 1.01 g/L · 1.01g/L at 20℃
- InChI
- InChI=1S/C11H21NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h7H,1,8H2,2-6H3,(H,12,13)
- InChIKey
- YRDNVESFWXDNSI-UHFFFAOYSA-N
- SMILES
- C(NC(C)(C)CC(C)(C)C)(=O)C=C
- LogP
- 2.25 at · 2.25 at 25℃
- FDA UNII
- 0 U7G677BFR · 0U7G677BFR
- EPA Substance Registry System
- 2 · 2-Propenamide, N-(1,1,3,3-tetramethylbutyl)- (4223-03-4)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 2-Propenamide, N-(1,1,3,3-tetramethylbutyl)-
Status: Active Update: 25-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15631
Hazard Classes and CategoriesAcute Tox. 4 (98.2%)
Regulatory information
Regulatory Information
Chemical: 2-Propenamide, N-(1,1,3,3-tetramethylbutyl)-
Status: Active Update: 25-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15631
Safety data
- tsca
- TSCA listed
- hs_code
- 2924.19.1150
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenamide, N-(1,1,3,3-tetramethylbutyl)-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers57 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
合肥瑞洛新材料科技有限公司19567218739 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
陕西纬宇新材料有限公司13772052144 13772052144 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
6 records
Compound notes
Loading…