N-tert-Butylacrylamid

tert-Butylacrylamide

HCID 7877CAS 107-58-4

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Grundinformationen

Standard-SMILES: C=CC(=O)NC(C)(C)C
InChIKey: XFHJDMUEHUHAJW-UHFFFAOYSA-N
Summenformel: C7H13NO
Durchschnittliche Molmasse: 127,18 g/mol
Monoisotopische Masse: 127,09971404

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: tert-Butylacrylamide
IUPAC: N-tert-butylprop-2-enamide
Lokaler Name: N-tert-Butylacrylamid
Englischer Name: N-tert-Butylacrylamide
Summenformel: C7H13NO
Molmasse: 127.18

Namen und Synonyme

N-TERT-BUTYLACRYLAMIDE107-58-4tert-ButylacrylamideDTXSID1040114XJ13FSH48KT-Bu acrylamideNSC-5287DTXCID9020114RefChem:896539203-505-6N-(tert-Butyl)acrylamide2-Propenamide, N-(1,1-dimethylethyl)-

Weitere Namen anzeigen

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)

Datenbank-Bezeichner

CAS: 107-58-4
PubChem CID: 7877
DTXSID: DTXSID1040114
ChEMBL: CHEMBL3184503
UNII: XJ13FSH48K
EC Number: 203-505-6
Nikkaji: J66.956C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 121

Experimentelle und physikochemische Eigenschaften

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionDry Powder

Physikochemische Eigenschaften

Schmelzpunkt: 126 · 126-129 °C (lit.)
Siedepunkt: 235.98 °C · 235.98°C (rough estimate)
Dichte: 1.0083 · 1.0083 (rough estimate)
Dampfdruck: 0.385 Pa · 0.385Pa at 25℃
Brechungsindex: 1.483 · 1.4830 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: 3.8 g/L · 3.8g/L in organic solvents at 20 ℃
Aggregatzustand: Powder or Chunks
pka: 15.11 · 15.11±0.46(Predicted)
Farbe: White to off-white
Wasserlöslichkeit: 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 Datenbank: 107 · 107-58-4(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Propenamide, N-(1,1-dimethylethyl)- (107-58-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29241990
RTECS-Nr.: AS3460000
risk_code: 22
hazard_code: Xn
safety_code: 22-36/37
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesMonomers

General Manufacturing Information · 2 Einträge

Adhesive Manufacturing

2-Propenamide, N-(1,1-dimethylethyl)-: ACTIVE

Anwendungen · 1 Eintrag

VerwendennTBA 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.