CAS 4097-88-5 N-Methyl-2,2'-diaminodiethylamine (HCID 430288)

기본 정보

CAS: 4097-88-5
표준 SMILES: CN(CCN)CCN
InChIKey: HYSQEYLBJYFNMH-UHFFFAOYSA-N
분자식: C5H15N3
평균 분자량: 117.19 g/mol
단동위원소 질량: 117.12659749

이름 및 식별자

우선 이름: N-Methyl-2,2'-diaminodiethylamine
IUPAC: N'-(2-aminoethyl)-N'-methylethane-1,2-diamine
현지명: 메틸-1,3-디아미노디에틸아민
영어명: N-Methyl-2,2'-diaminodiethylamine
분자식: C5H15N3
분자량: 117.19

이름 및 동의어

N-Methyl-2,2'-diaminodiethylamineRefChem:830359672-639-94097-88-52,2'-Diamino-N-methyldiethylamineN-(2-Aminoethyl)-N-methylethylenediamineN1-(2-Aminoethyl)-N1-methylethane-1,2-diamineN'-(2-aminoethyl)-N'-methylethane-1,2-diaminebis(2-aminoethyl)(methyl)amineN,N-Bis(2-aminoethyl)methylamineMFCD00198039n-methyl-2,2-diaminodiethylamine

이름 더 보기

N(SUP2)-메틸다이에틸렌트라이아민메틸-1,3-디아미노디에틸아민N(SUP 2)-메틸다이에틸렌트라이아민2,2'-METHYLIMINOBIS(ETHYLAMINE)2，2'-Diamino-N-methyldiethylamine1,3,5-TriaminopentaneMethyldiaminodiethylamineN(sup 2)-methyldiethylenetriamine2,2'-Diamino-N-methyldiethylamine>

SCHEMBL15075N-(2-Aminoethyl)-N-methyl-1,2-ethanediamine1,2-Ethanediamine, N1-(2-aminoethyl)-N1-methyl-BP-24268M10854-MethyldiethylenetriamineN'-methyl-2,2'-diaminodiethylamine1,2-Ethanediamine, N-(2-aminoethyl)-N-methyl-

데이터베이스 식별자

CAS: 4097-88-5
PubChem CID: 430288
DTXSID: DTXSID00330531
EC Number: 672-639-9
Nikkaji: J907.547J

물성

구조 계산 물성

XLogP: -1.4
극성 표면적: 55.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 8
형식 전하: 0
복잡도: 40.9

물리화학적 성질

끓는 점: 84 °C · 84 °C / 14mmHg
밀도: 0 · 0,91 g/cm3
굴절률: 1.469 · 1.4690-1.4720
인화점: 84 °C · 84°C
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 무색의 액체
산도 계수 (pKa): 9.91 · 9.91±0.10(Predicted)
색상: 무색~연황색
InChI: InChI=1S/C5H15N3/c1-8(4-2-6)5-3-7/h2-7H2,1H3
InChIKey: HYSQEYLBJYFNMH-UHFFFAOYSA-N
SMILES: C(N(CCN)C)CN

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.