1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-

HCID 87984CAS 19248-13-6

기본 정보

표준 SMILES: CCN(CCN)c1cccc(C)c1
InChIKey: FTMVEUXYYDLYFH-UHFFFAOYSA-N
분자식: C11H18N2
평균 분자량: 178.27 g/mol
단동위원소 질량: 178.14699858

이름 및 식별자

우선 이름: 1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
IUPAC: N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
영어명: N-(2-Aminoethyl)-N-ethyl-m-toluidine
분자식: C11H18N2
분자량: 178.27

이름 및 동의어

19248-13-61,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-Ethylenediamine, N-ethyl-N-m-tolyl-N-Ethyl-N-(beta-aminoethyl)-m-toluidine1,2-Ethanediamine, N-ethyl-N-(3-methylphenyl)-N-Ethyl-N-(m-tolyl)ethylenediamineEINECS 242-914-4NSC 151043VQZ989I52ZN1-ethyl-N1-(3-methylphenyl)-1,2-ethanediamineNSC-151043RefChem:411969

이름 더 보기

N-Aminoethyl-N-ethyl-m-toluidineN-Ethyl-N-(β-aminoethyl)-m-toluidineN-(2-Aminoethyl)-N-ethyl-m-toluidine >N-Ethyl-N-(.beta.-aminoethyl)-m-toluidineN-Ethyl-N-(3-methylphenyl)-1,2-ethanediamine

Ethylenediamine, N-ethyl-N-m-tolyl-(8CI)N-(2-Aminoethyl)-N-ethyl-m-toluidineN-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)amineN-(2-aminoethyl)-N-ethyl-3-methylanilineMFCD00025603N-ethyl-N-(3-methylphenyl)ethane-1,2-diamineDTXSID5027803N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine

데이터베이스 식별자

CAS: 19248-13-6
PubChem CID: 87984
DTXSID: DTXSID5027803
ChEMBL: CHEMBL3183251
UNII: VQZ989I52Z
EC Number: 242-914-4
Nikkaji: J37.742B

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 136

실험 및 물리화학적 성질

Collision Cross Section140.5 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5027803]

물리화학적 성질

끓는 점: 120 °C · 120 °C / 25mmHg
밀도: 0.98 · 0.98
굴절률: 1.555 · 1.5550-1.5580
산도 계수 (pKa): 9.44 · 9.44±0.10(Predicted)
물리적 상태: 투명한 액체
색상: Light orange to Yellow to Green
EPA: 1 · 1,2-Ethanediamine, N-ethyl-N-(3-methylphenyl)- (19248-13-6)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

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