2-[디에틸아미노]에틸아민

N,N'-Diethylethylenediamine

HCID 67105CAS 111-74-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCNCCNCC
InChIKey: CJKRXEBLWJVYJD-UHFFFAOYSA-N
분자식: C6H16N2
평균 분자량: 116.2 g/mol
단동위원소 질량: 116.13134851

개요

N,N'-diethylethylenediamine is a diazaalkane consisting of octane having the two aza groups at the 3- and 6-positions.

이름 및 식별자

우선 이름: N,N'-Diethylethylenediamine
IUPAC: N,N'-diethylethane-1,2-diamine
현지명: 2-[디에틸아미노]에틸아민
영어명: N,N'-Diethylethylenediamine
분자식: C6H16N2
분자량: 116.2

이름 및 동의어

N,N'-Diethylethylenediamine111-74-0N,N'-diethylethane-1,2-diamine1,2-Bis(ethylamino)ethane3,6-diazaoctane1,2-Ethanediamine, N1,N2-diethyl-EINECS 203-902-4n,n'-diethyl-1,2-ethanediamineAI3-26637N,N'-Diethyl-1,2-diaminoethaneDTXSID0059409CHEBI:182290

이름 더 보기

2-[디에틸아미노]에틸아민N,N-디에틸-1,2-에테인디아민N,N'-다이에틸에틸렌다이아민N1,N2-diethylethane-1,2-diaMineDEENN,N'-diethyldiamineN,N'-DiethylethyleneN,N'-Ethylenediethyldiamine

RefChem:821901DTXCID0033205203-902-41,2-Ethanediamine, N,N'-diethyl-ethyl[2-(ethylamino)ethyl]amineMFCD00009033SCHEMBL80292Ethylenediamine, N,N'-diethyl-

데이터베이스 식별자

CAS: 111-74-0
PubChem CID: 67105
DTXSID: DTXSID0059409
ChEMBL: CHEMBL54723
ChEBI: CHEBI:182290
UNII: M65DE5KU8F
EC Number: 203-902-4
Nikkaji: J150.839C

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 24.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 8
형식 전하: 0
복잡도: 31.5

물리화학적 성질

녹는점: -7.15 °C · -7.15°C (estimate)
끓는 점: 152 · 152-154 °C(lit.)
밀도: 0.811 g/mL · 0.811 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4326(lit.)
인화점: 92 °F · 92 °F
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 11.17 · 11.17±0.19(Predicted)
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
수용성: 물과 섞일 수 있습니다.
안정성: 안정적인. 가연성. 산, 산 염화물, 산 무수물, 강산화제와 호환되지 않습니다. 공기 중의 이산화탄소를 흡수하고 반응합니다.
InChI: InChI=1S/C6H16N2/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3
InChIKey: CJKRXEBLWJVYJD-UHFFFAOYSA-N
SMILES: C(NCC)CNCC
LogP: 0.21 · 0.210
NIST: 1 · 1,2-Ethanediamine, N,N'-diethyl-(111-74-0)
EPA: 1 · 1,2-Ethanediamine, N,N'-diethyl- (111-74-0)

화학적 성질

liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2685 8/PG 2
HS 번호: 29212900
risk_code: 10-34
hazard_code: C
safety_code: 16-26-27-36/37/39-45
포장분류: II
위험 등급: 8
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing Information1,2-Ethanediamine, N1,N2-diethyl-: ACTIVE

응용 분야 · 1건

용도N,N'-Diethylethylenediamine is used as an internal standard in liquid chromatographic method used for checking the assay of ethambutol. It is utilized for the solvation of lithium hexamethyldisilazide. It acts as a ligand and form coordination complexes such as trans-diaquabis(N,N'-diethylethylenediamine)nickel(II) chloride and copper(II)-N,N-Diethylethylenediamine, which shows thermochromic properties. Further, it is used as a pharmaceutical intermediate used in the synthesis of procainamide hydrochloride, tiapride and cinchocaine.