1-methyl-1H-pyrrole-2-ethylamine

HCID 565058CAS 83732-75-6

기본 정보

표준 SMILES: Cn1cccc1CCN
InChIKey: ITFDYXKCBZEBDG-UHFFFAOYSA-N
분자식: C7H12N2
평균 분자량: 124.18 g/mol
단동위원소 질량: 124.10004838

이름 및 식별자

우선 이름: 1-methyl-1H-pyrrole-2-ethylamine
IUPAC: 2-(1-methylpyrrol-2-yl)ethanamine
영어명: 2-(2-AMINOETHYL)-1-METHYLPYRROLIDINE
분자식: C7H12N2
분자량: 124.18

이름 및 동의어

1-Methyl-1H-pyrrole-2-ethylamineEINECS 280-626-0RefChem:433923280-626-02-(1-Methyl-1H-pyrrol-2-yl)ethanamine83732-75-62-(1-methylpyrrol-2-yl)ethanamine2-(2-Aminoethyl)-1-methylpyrroleMFCD000097532-(1-methyl-1H-pyrrol-2-yl)ethan-1-amine2-[2-Aminoethyl]-1-methylpyrrole2-(1-methyl-1H-pyrrol-2-yl)ethylamine

이름 더 보기

1-Methyl-1H-pyrrole-2-ethanamine1H-Pyrrole-2-ethanamine, 1-methyl-2-(2-Aminoethyl)-1-methyl-1H-pyrrole2-(2-AMINOETHYL)-N-METHYL PYRROLIDINE

SCHEMBL444647SCHEMBL25671462-(2-aminoethyl)-1-methylpyrrolDTXSID401003758IDA732752-(1-Methyl-2-pyrrolyl)ethanamine2-(1-Methylpyrrol-2-yl)ethylamine2-(2-aminoethyl)-1-methyl-pyrrole

데이터베이스 식별자

CAS: 83732-75-6
PubChem CID: 565058
DTXSID: DTXSID401003758
EC Number: 280-626-0
Nikkaji: J236.631B

물성

구조 계산 물성

XLogP: 0
극성 표면적: 31 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 83

물리화학적 성질

끓는 점: 70 · 70-71 °C(Press: 1.5 Torr)
밀도: 0.885 g/mL · 0.885 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4684(lit.)
인화점: 149 °F · 149 °F
산도 계수 (pKa): 10.4 · 10.40±0.10(Predicted)
물리적 상태: liquid
InChI: 1S/C7H12N2/c1-9-6-2-3-7(9)4-5-8/h2-3,6H,4-5,8H2,1H3
InChIKey: ITFDYXKCBZEBDG-UHFFFAOYSA-N
SMILES: Cn1cccc1CCN

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.