기본 정보
- 표준 SMILES
CN(C)CCCl- InChIKey
WQMAANNAZKNUDL-UHFFFAOYSA-N- 분자식
- C4H10ClN
- 평균 분자량
- 107.58 g/mol
- 단동위원소 질량
- 107.050177
개요
2-dimethylaminoethyl chloride is a tertiary amino compound consisting of one 2-chloroethyl and two methyl groups covalently bound to a nitrogen atom. It is an organochlorine compound and a tertiary amino compound. It is a conjugate base of a 2-dimethylammonioethyl chloride.
이름 및 식별자
- 우선 이름
- 2-Chloro-N,N-dimethylethylamine
- IUPAC
- 2-chloro-N,N-dimethylethanamine
- 영어명
- 2-Chloroethyldimethylamine
- 분자식
- C4H10ClN
- 분자량
- 107.58
이름 및 동의어
107-99-3(2-Chloroethyl)dimethylamineDimethylaminoethyl chlorideEthanamine, 2-chloro-N,N-dimethyl-2-ChloroethyldimethylamineChloro(dimethylamino)ethaneN,N-Dimethylaminoethyl chloride2-Dimethylaminoethylchloride2-(Dimethylamino)ethyl chloride2-chloro-N,N-dimethylethylamineCCRIS 5796N,N-Dimethyl(2-chloroethyl)amine
이름 더 보기
2-chloro-N,N-dimethylethan-1-amine2-Chloro-N,N-dimethylethanamineN-(2-Chloroethyl)-N,N-dimethylamine181019Chlorphenamine Impurity 1Dimethylaminochloroethaneβ-ChloroethyldimethylamineDIMETHYL2-CHLOROETHYLAMINE
ETHYLAMINE, 2-CHLORO-N,N-DIMETHYL-EINECS 203-540-79UK81G2OHJBRN 0605280DTXSID20593564-04-00-00444 (Beilstein Handbook Reference)NSC-1917NSC-123444
데이터베이스 식별자
- CAS
107-99-3- PubChem CID
- 7901
- DTXSID
DTXSID2059356- ChEMBL
CHEMBL3580424- ChEBI
CHEBI:78155- UNII
- 9UK81G2OHJ
- EC Number
- 203-540-7
- Nikkaji
- J26.199H
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 28.7
실험 및 물리화학적 성질
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
물리화학적 성질
- 끓는 점
- 160.72 °C · 160.72°C (rough estimate)
- 밀도
- 0.9903 · 0.9903 (rough estimate)
- 굴절률
- 1.532 · 1.5320 (estimate)
- 산도 계수 (pKa)
- 8.4 · 8.40±0.28(Predicted)
- LogP
- 0.78 · 0.78
- EPA
- 2 · Ethanamine, 2-chloro-N,N-dimethyl- (107-99-3)
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 10-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18565
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- tsca
- TSCA listed
- 독성
- LD50 unreported in rat: 30mg/kg
화학 및 산업
용도 및 제조
General Manufacturing InformationEthanamine, 2-chloro-N,N-dimethyl-: ACTIVE
상·하류 제품 정보
하류 제품
추가 설명
정의ChEBI: A tertiary amino compound consisting of one 2-chloroethyl and two methyl groups covalently bound to a nitrogen atom.
관련 반응
610건
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