N-t-옥틸아크릴아미드

N-tert-Octylacrylamide

HCID 171970CAS 4223-03-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=CC(=O)NC(C)(C)CC(C)(C)C
InChIKey: YRDNVESFWXDNSI-UHFFFAOYSA-N
분자식: C11H21NO
평균 분자량: 183.29 g/mol
단동위원소 질량: 183.16231429

이름 및 식별자

우선 이름: N-tert-Octylacrylamide
IUPAC: N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
현지명: N-t-옥틸아크릴아미드
영어명: N-TERT-OCTYLACRYLAMIDE
분자식: C11H21NO
분자량: 183.29

이름 및 동의어

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

이름 더 보기

N-(1,1,3,3-테트라메틸뿌틸)아크릴아미드N-t-옥틸아크릴아미드N-tert-옥틸라크라마이드TOAOctylacrylamideT-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

데이터베이스 식별자

CAS: 4223-03-4
PubChem CID: 171970
DTXSID: DTXSID5027564
UNII: 0U7G677BFR
EC Number: 224-169-7
Nikkaji: J205.646A

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 199

물리화학적 성질

녹는점: 63 · 63-64°C
끓는 점: 289.6 · 289.6±13.0 °C(Predicted)
밀도: 0.867 · 0.867±0.06 g/cm3(Predicted)
증기압: 0.064 Pa · 0.064Pa at 20℃
용해도: 메탄올에 용해됨
물리적 상태: powder to lump
산도 계수 (pKa): 15.1 · 15.10±0.46(Predicted)
색상: White to Orange to Green
수용성: 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℃
EPA: 2 · 2-Propenamide, N-(1,1,3,3-tetramethylbutyl)- (4223-03-4)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

규제 정보

Regulatory Information · 2건

Chemical: 2-Propenamide, N-(1,1,3,3-tetramethylbutyl)-

Status: Active Update: 25-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15631

안전 데이터

tsca: TSCA listed
HS 번호: 2924.19.1150
risk_code: 36/37/38
safety_code: 26-36/37/39

화학 및 산업

용도 및 제조

General Manufacturing Information2-Propenamide, N-(1,1,3,3-tetramethylbutyl)-: ACTIVE

상·하류 제품 정보

상류 원료

2,4,4-트리메틸펜텐-1 아크릴로나이트릴

공급사50 곳

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]

연결된 노트

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