N-아크릴아미도아세트알데히드디메틸아세탈

N-(2,2-Dimethoxyethyl)-2-propenamide

HCID 9898899

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 49707-23-5
표준 SMILES: C=CC(=O)NCC(OC)OC
InChIKey: CMMYGCUEJWTBCG-UHFFFAOYSA-N
분자식: C7H13NO3
평균 분자량: 159.18 g/mol
단동위원소 질량: 159.08954328

이름 및 식별자

우선 이름: N-(2,2-Dimethoxyethyl)-2-propenamide
IUPAC: N-(2,2-dimethoxyethyl)prop-2-enamide
현지명: N-아크릴아미도아세트알데히드디메틸아세탈
영어명: N-acrylamidoacetaldehyde dimethyl acetal
분자식: C7H13NO3
분자량: 159.18

이름 및 동의어

N-(2,2-dimethoxyethyl)prop-2-enamideN-(2,2-Dimethoxyethyl)-2-propenamideDTXSID701045002RefChem:823791EC 610-472-5DTXCID90110324610-472-549707-23-5N-acrylamidoacetaldehyde dimethyl acetalN-(2,2-Dimethoxyethyl)acrylamideMFCD00085222Anilino-acetaldehyd-dimethylacetal

이름 더 보기

N-아크릴아미도아세트알데히드디메틸아세탈N-acrylamidoacetaldehyde dimethyl acetal [NAAADA]N - (2,2-dimethoxyethyl) -2-acrylamide

N-(2,2-Dimethoxyethyl)-2-propenamide; (2,2-Dimethoxyethyl)acrylamide;Acrylamidoacetaldehyde Dimethyl Acetal; N-Acryloylaminoacetaldehyde Dimethyl Acetal;2-Propenamide, N-(2,2-dimethoxyethyl)-SCHEMBL514524SKL781CMMYGCUEJWTBCG-UHFFFAOYSA-NN-(2,2 dimethoxyethyl)acrylamideacrylamidoacetaldehyde dimethylacetalacrylamido-acetaldehyde dimethylacetal

데이터베이스 식별자

CAS: 49707-23-5
PubChem CID: 9898899
DTXSID: DTXSID701045002
EC Number: 610-472-5

물성

구조 계산 물성

XLogP: 0
극성 표면적: 47.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

물리화학적 성질

끓는 점: 179 ℃ · 179℃ at 101.3kPa
밀도: 1.078 at · 1.078 at 20℃
증기압: 0.149 Pa · 0.149Pa at 20℃
저장 조건: Amber Vial, Refrigerator, Under inert atmosphere
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 무색~담황색
안정성: 감광성
InChI: InChI=1S/C7H13NO3/c1-4-6(9)8-5-7(10-2)11-3/h4,7H,1,5H2,2-3H3,(H,8,9)
InChIKey: CMMYGCUEJWTBCG-UHFFFAOYSA-N
SMILES: C(NCC(OC)OC)(=O)C=C
LogP: -0.3 at · -0.3 at 20℃ and pH5.3-7.2
표면장력: 68 mN/m · 68mN/m at 1g/L and 20℃

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.