비스(2-메톡시에틸)아민

Bis(2-Methoxyethyl)amine

HCID 2383CAS 111-95-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COCCNCCOC
InChIKey: IBZKBSXREAQDTO-UHFFFAOYSA-N
분자식: C6H15NO2
평균 분자량: 133.19 g/mol
단동위원소 질량: 133.11027872

개요

structure

이름 및 식별자

우선 이름: Bis(2-Methoxyethyl)amine
IUPAC: 2-methoxy-N-(2-methoxyethyl)ethanamine
현지명: 비스(2-메톡시에틸)아민
영어명: Bis(2-methoxyethyl)amine
분자식: C6H15NO2
분자량: 133.19

이름 및 동의어

Bis(2-Methoxyethyl)amine111-95-52-Methoxy-N-(2-methoxyethyl)ethanamineDimethoxyethylamineEthanamine, 2-methoxy-N-(2-methoxyethyl)-DTXSID4059411RefChem:134193DTXCID0033207203-923-92,2'-DimethoxydiethylamineBis(methoxyethyl)amineBis-(2-methoxyethyl)-amine

이름 더 보기

비스(2-메톡시에틸)아민NSC 78431Bis(2-Methoxyethyl)aMine 98%Bis(2-methoxyethyl)amine, 98+%BIS(2-METHOXYETHYL)AMINE USP/EP/BP2-Methoxy-N-(2-methoxyethyl)-ethanam2-methoxy-n-(2-methoxyethyl)-ethanamin2-methoxy-N-(2-methoxyethyl)-Ethanamine

MFCD00025906N,N-bis(2-methoxyethyl)amineDiethylamine, 2,2'-dimethoxy-NSC-784312-Methoxy-N-(2-methoxyethyl)ethanamine; 2,2'-Dimethoxydiethylamine; Bis(2-methoxyethyl)amine; Di(2-methoxyethyl)amine; N,N-Bis(2-methoxyethyl)amine; NSC 78431Di-(2-methoxyethyl)amineBis(2-methoxyethyl);aminebismethoxyethylamine

데이터베이스 식별자

CAS: 111-95-5
PubChem CID: 2383
DTXSID: DTXSID4059411
UNII: UEJ75Q8JL5
EC Number: 203-923-9
Nikkaji: J193.599B

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 30.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 9
형식 전하: 0
복잡도: 44.3

물리화학적 성질

녹는점: -60 °C · <-60°C
끓는 점: 170 · 170-172 °C(lit.)
밀도: 0.902 g/mL · 0.902 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.419(lit.)
인화점: 137 °F · 137 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
수용성: Completely miscible in water
물리적 상태: 투명한 액체
산도 계수 (pKa): 8.67 · 8.67±0.19(Predicted)
색상: Colorless to Light orange to Yellow
BRN: 1736313 · 1736313
Henry's Law Constant: 1.1 · 1.1×102 mol/(m3Pa) at 25℃, Du et al. (2017)
InChI: 1S/C6H15NO2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3
InChIKey: IBZKBSXREAQDTO-UHFFFAOYSA-N
SMILES: COCCNCCOC
LogP: -0.373 · -0.373 (est)
EPA: 2 · Ethanamine, 2-methoxy-N-(2-methoxyethyl)- (111-95-5)

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, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 75 reports by companies from 5 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 2734 8/PG 2
HS 번호: 29221990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
기존화학 물질: KE-03260
F 고인화성물질: 34
Hazard Classifications: Acute Tox. 4 DermalEye Dam. 1Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids