Basic information
- Standard SMILES
C=CC(=O)NC(C)(C)C- InChIKey
XFHJDMUEHUHAJW-UHFFFAOYSA-N- Molecular formula
- C7H13NO
- Average molar mass
- 127.18 g/mol
- Monoisotopic mass
- 127.09971404
Overview
structure in first source
Names & identifiers
- Preferred name
- tert-Butylacrylamide
- IUPAC
- N-tert-butylprop-2-enamide
- English name
- N-tert-Butylacrylamide
- Molecular formula
- C7H13NO
- Molecular weight
- 127.18
Names & synonyms
N-TERT-BUTYLACRYLAMIDE107-58-4tert-ButylacrylamideDTXSID1040114XJ13FSH48KT-Bu acrylamideNSC-5287DTXCID9020114RefChem:896539203-505-6N-(tert-Butyl)acrylamide2-Propenamide, N-(1,1-dimethylethyl)-
Show more names
TBAN-Tert-ButylacrylaTIMTEC-BB SBB008122n-tert-butyl-acrylamidAcrylo-tert-butylamideN-t-Butyl-2-propenamide
N-tert-butylprop-2-enamideAcrylamide, N-tert-butyl-N-t-ButylacrylamideMFCD00026271NSC 5287BRN 1742331N-t-butyl acrylamide4-04-00-00664 (Beilstein Handbook Reference)
Database identifiers
- CAS
107-58-4- PubChem CID
- 7877
- DTXSID
DTXSID1040114- ChEMBL
CHEMBL3184503- UNII
- XJ13FSH48K
- EC Number
- 203-505-6
- Nikkaji
- J66.956C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionDry Powder
Physicochemical properties
- Melting point
- 126 · 126-129 °C (lit.)
- Boiling point
- 235.98 °C · 235.98°C (rough estimate)
- Density
- 1.0083 · 1.0083 (rough estimate)
- vapor pressure
- 0.385 Pa · 0.385Pa at 25℃
- refractive index
- 1.483 · 1.4830 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 3.8 g/L · 3.8g/L in organic solvents at 20 ℃
- form
- Powder or Chunks
- pka
- 15.11 · 15.11±0.46(Predicted)
- color
- White to off-white
- Water Solubility
- 1 g/L · 1g/L at 30℃
- BRN
- 1742331 · 1742331
- InChI
- 1S/C7H13NO/c1-5-6(9)8-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)
- InChIKey
- XFHJDMUEHUHAJW-UHFFFAOYSA-N
- SMILES
- CC(C)(C)NC(=O)C=C
- LogP
- 1.45 at · 1.45 at 25℃
- CAS DataBase Reference
- 107 · 107-58-4(CAS DataBase Reference)
- Indirect Additives used in Food Contact Substances
- N-TERT-BUTYLACRYLAMIDE
- FDA 21 CFR
- 175.105 · 175.105
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 13 FSH48K · XJ13FSH48K
- EPA Substance Registry System
- 2 · 2-Propenamide, N-(1,1-dimethylethyl)- (107-58-4)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H301-H335-H302
- Precautionary statements
- 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 22 · 22-36/37
- WGK Germany
- 3 · 3
- RTECS
- 3460000 · AS3460000
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29241990 · 29241990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 679 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
2-Propenamide, N-(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenamide, N-(1,1-dimethylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 05-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12333
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AS3460000
- hs_code
- 29241990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xn
- safety_code
- 22-36/37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H301-H335-H302
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesMonomers
General Manufacturing Information
Adhesive Manufacturing
2-Propenamide, N-(1,1-dimethylethyl)-: ACTIVE
Applications
UsesN-tert-Butylacrylamide is used for study on abiotic anti-VEGF nanoparticle for anti-angiogenic cancer therapy.
UsesnTBA is temperature sensitive monomers that can be potentially used in drug delivery systems, dewatering of proteins, and immobilization of cells. It can be used in the preparation of poly(nTBA) based copolymeric hydrogels for bovin serum albumin.
UsesN-tert-Butylacrylamide is used for study on abiotic anti-VEGF nanoparticle for anti-angiogenic cancer therapy (1,2).
General DescriptionN-tert-Butylacrylamide (nTBA) belongs to the class of hydrophobic acrylamides which can be synthesized by Ritter reaction and optimized by using N-tert-butyl acetate and acetic acid.
Upstream & downstream products
Upstream raw materials
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