tert-Butylacrylamide

N-메틸사이클로헥실아민 · tert-Butylacrylamide · TBA · N-Tert-Butylacryla · N-T-BUTYLACRYLAMIDE · TIMTEC-BB SBB008122 · n-tert-butyl-acrylamid · Acrylo-tert-butylamide

https://huagongshe.com/ko/chemical/7877

식별자 및 물리적 특성

CAS No.	107-58-4
분자식	C7H13NO
평균 분자량	127.18 g/mol
단동위원소 질량	127.09971404 g/mol
SMILES	C=CC(=O)NC(C)(C)C
InChIKey	XFHJDMUEHUHAJW-UHFFFAOYSA-N
PubChem CID	7877
ChEMBL	CHEMBL3184503
EC No.	203-505-6
DTXSID	DTXSID1040114

화학 및 물리적 성질

XLogP	1.1
극성 표면적	29.1
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	2
무거운 원자 수	9
형식 전하	0
복잡도	121
Food Contact Substances	FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description	Dry Powder
녹는점	126-129 °C (lit.)
끓는 점	235.98°C (rough estimate)
밀도	1.0083 (rough estimate)
증기압	0.385Pa at 25℃
굴절률	1.4830 (estimate)
저장 조건	Sealed in dry,Room Temperature
용해도	3.8g/L in organic solvents at 20 ℃
물리적 상태	분말 또는 덩어리
pKa(산도 계수)	15.11±0.46(Predicted)
색상	흰색에서 황백색까지
용해도	1g/L at 30℃
BRN	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(분배 계수)	1.45 at 25℃
EPA	2-Propenamide, N-(1,1-dimethylethyl)- (107-58-4)

화학적 성질

white to off-white powder or chunks

안전 및 규제

GHS 분류	WarningH302 (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.
규제 정보	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 Categories	Acute Tox. 4 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	AS3460000
관세 코드	29241990
위험 문구(R)	22
위험 표시	Xn
안전 문구(S)	22-36/37
위험 등급	IRRITANTAcute Tox. 4 Oral
저장 분류	11 - Combustible Solids

용도

nTBA 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.

일반 설명

N-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.