1-Chloro-2-(diethylamine)ethane hydrochloride

HCID 13363CAS 869-24-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCN(CC)CCCl.Cl
InChIKey: RAGSWDIQBBZLLL-UHFFFAOYSA-N
분자식: C6H14ClN.ClH
평균 분자량: 172.09 g/mol
단동위원소 질량: 171.05815484

개요

See also: Diethylaminoethyl chloride (annotation moved to).

이름 및 식별자

우선 이름: 1-Chloro-2-(diethylamine)ethane hydrochloride
IUPAC: 2-chloro-N,N-diethylethanamine;hydrochloride

이름 및 동의어

2-Chloro-N,N-diethylethanamine hydrochloride2-Chloro-N,N-diethylethylamine hydrochloride2-Chlorotriethylamine hydrochlorideDiethylaminoethyl chloride hydrochloride2-Chloroethyldiethylammonium chloride1-Chloro-2-(diethylamino)ethane hydrochloride(2-Chloroethyl)diethylamine hydrochlorideEthanamine, 2-chloro-N,N-diethyl-, hydrochlorideN,N-Diethylaminoethyl chloride hydrochloride2-Chloroethyl-N,N-diethylamine hydrochloride1-CHLORO-2-(DIETHYLAMINE)ETHANE HYDROCHLORIDEDTXSID1029203

이름 더 보기

YCY6EQT3WAHSDB 5765Triethylamine, 2-chloro-, hydrochloride2-ChlorotriethylaminehydrochlorideDiethyl-(2-chloroethyl)amine hydrochlorideNSC 2059EINECS 212-786-4(2-Chloroethyl)diethylamine monohydrochloride

데이터베이스 식별자

CAS: 869-24-9
PubChem CID: 13363
DTXSID: DTXSID1029203
ChEMBL: CHEMBL3182521
UNII: YCY6EQT3WA
EC Number: 212-786-4

물성

구조 계산 물성

극성 표면적: 3.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 43.8

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Halogenated Aliphatic Amines

Physical DescriptionTan powder; [MSDSonline]

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300+H310+H330 (25.7%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 105 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Ethanamine, 2-chloro-N,N-diethyl-, hydrochloride

Status: Active Update: 09-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12841

2-Chloroethyldiethylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA severe skin and eye irritant; Causes somnolence, tremor, and dyspnea in lethal-concentration inhalation studies of rats; [RTECS] A severe irritant that may cause serious eye injury; [MSDSonline]

Hazard Classes and CategoriesAcute Tox. 2 (97.1%)

독성 정보

Non-Human Toxicity Excerpts · 1건

THE AUTORADIOGRAPHIC IDENTIFICATION OF UNSCHEDULED DNA SYNTHESIS (UDS) IN PRIMARY CULTURES OF ADULT RAT HEPATOCYTES WAS PROPOSED AS A PREDICTIVE TEST FOR MUTAGENS/CARCINOGENS. PRIMARY CULTURES OF ADULT RAT HEPATOCYTES WERE PREPARED BY IN SITU PERFUSION OF THE LIVERS OF 150-170 G MALE FISCHER 344 RATS. THE L5178Y MOUSE LYMPHOMA CELL TEST WAS EMPLOYED TO DETERMINE THE MUTATION AT THE THYMIDINE KINASE LOCUS. IN THIS ASSAY, DIETHYLAMINOETHYL CHLORIDE WAS THE MOST ACTIVE, SHOWING A NET MUTATION FREQUENCY ABOUT 15 TIMES THE SPONTANEOUS RATE AT THE HIGHEST CONCN USED (176 UM). THE AMES TEST WAS PERFORMED USING SALMONELLA TYPHIMURIUM PROVIDING A 10,000-FOLD CONCENTRATION RANGE FOR THIS COMPOUND. THE HIGHEST CONCENRATION TESTED WAS 1,000 MCG/ML OF AGAR. THERE WAS GOOD CORRELATION BETWEEN ALL THREE OF THESE TESTS.

Toxicity DataLC50 (rat) = 103 mg/m3/4h

화학 및 산업

용도 및 제조

UsesUsed to make pharmaceuticals; [Hawley] Possesses algicidal and anti-bacterial properties; [HSDB]

General Manufacturing Information · 4건

Ethanamine, 2-chloro-N,N-diethyl-, hydrochloride (1:1): ACTIVE

1-CHLORO-2-(DIETHYLAMINE)ETHANE HYDROCHLORIDE WAS TESTED FOR BOTH ALGICIDAL AND BACTERICIDAL ACTIVITY.

ALGICIDAL COMPOUNDS WERE PREPARED COMPRISING A SOLID OR LIQUID CARRIER AND A DIAMINE I, EG PREPARED FROM N,N-DIETHYLAMINOETHYLCHLORIDE-HCL, KILLED MORE THAN 81% OF VAUCHERIA, CLADOPHORA, AND NAUGEOTIA AT 0.4-2.0 MG/L AFTER 2 WEEKS.

N,N-DIETHYL-2-CHLOROETHYLAMINE HYDROCHLORIDE INHIBITED THE GROWTH OF ANABAENA VARIABILIS, CHLORELLA PYRENOIDOSA, & SCENEDESMUS ACUMINATUS.