에틸-3-디메틸아미노 아크릴레이트

Ethyl trans-3-dimethylaminoacrylate

HCID 5369162CAS 1117-37-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)/C=C/N(C)C
InChIKey: MVUMJYQUKKUOHO-AATRIKPKSA-N
분자식: C7H13NO2
평균 분자량: 143.18 g/mol
단동위원소 질량: 143.09462866

이름 및 식별자

우선 이름: Ethyl trans-3-dimethylaminoacrylate
IUPAC: ethyl (E)-3-(dimethylamino)prop-2-enoate
현지명: 에틸-3-디메틸아미노 아크릴레이트
영어명: Ethyl 3-(N,N-dimethylamino)acrylate
분자식: C7H13NO2
분자량: 143.18

이름 및 동의어

1117-37-9Ethyl 3-(Dimethylamino)acrylateEthyl trans-3-dimethylaminoacrylateDTXSID101009957Ethyl (2E)-3-(dimethylamino)-2-propenoateRefChem:596423DTXCID601436383402-650-4627-077-9677-349-6924-99-2(E)-Ethyl 3-(dimethylamino)acrylate

이름 더 보기

3-디메틸아미노아크릴산에틸에틸-3-디메틸아미노아크릴레이트에틸 3-(N,N-다이메틸아미노)아크릴산Moxifloxacin Impurity 107ethyl dimethylamino-acrylateCiprofloxacin Intermediate-23-Dimethylaminoacrylic acid ethyEthyl (2E)-3-(dimethylamino)-acrylateEthyl trans-3-(N,N-dimethylamino)acrylateEthyl 3-(N,N-dimethylamino)acrylate AldrichCPR

Ethyl 3-(N,N-dimethylamino)acrylateethyl (E)-3-(dimethylamino)prop-2-enoateEthyl (2E)-3-(dimethylamino)prop-2-enoateEthyl N,N-dimethylaminoacrylate2-Propenoic acid, 3-(dimethylamino)-, ethyl ester, (2E)-3-(Dimethylamino)acrylic Acid Ethyl EsterMFCD00144269ethyl (E)-3-(dimethylamino)acrylate

데이터베이스 식별자

CAS: 1117-37-9、924-99-2
PubChem CID: 5369162
DTXSID: DTXSID101009957
UNII: 76TRT729W4
EC Number: 402-650-4、627-077-9、677-349-6
Nikkaji: J1.865.998K、J355.005B

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 10
형식 전하: 0
복잡도: 130

물리화학적 성질

끓는 점: 261.28 °C · 261.28°C (rough estimate)
밀도: 1.1095 · 1.1095 (rough estimate)
굴절률: 1.476 · 1.4760 (estimate)
인화점: 110 ℃ · >110℃
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 5.6 · 5.60±0.70(Predicted)
InChI: 1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3/b6-5+
InChIKey: MVUMJYQUKKUOHO-AATRIKPKSA-N
SMILES: CCOC(/C=C/N(C)C)=O

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

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

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

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

유해성 정보

Regulatory InformationStatus: Active Update: 11-04-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/8393

Hazard Classes and Categories · 5건

Skin Sens. 1 (100%)

Skin Irrit. 2 (14.3%)

Skin sensitisation - category 1

Skin Sens. 1

안전 데이터

wgk: 3
risk_code: 43
hazard_code: Xi
safety_code: 24-37
Hazard Classifications: Skin Sens. 1B
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Ethyl 3-(N,N-dimethylamino)acrylate is an ester organic compound, which is a new important intermediate for the synthesis of levofloxacin.

상·하류 제품 정보

상류 원료

(Chloromethyl)dimethylamine hydrochloride 케텐디에틸아세탈

하류 제품

Benzenepropanoic acid, 2,4-dichloro-α-[(dimethylamino)methylene]-5-fluoro-β-oxo-, ethyl ester (E)-Ethyl 3-(Tetrahydro-2H-Pyran-4-Yl)Acrylate(WXC02732)

공급사50 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Changzhou Carman Chemical Co., Ltd.15061933924

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

연결된 노트

불러오는 중…