2-Aminomethyl-1-ethylpyrrolidine

HCID 117295

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 26116-12-1
표준 SMILES: CCN1CCCC1CN
InChIKey: UNRBEYYLYRXYCG-UHFFFAOYSA-N
분자식: C7H16N2
평균 분자량: 128.22 g/mol
단동위원소 질량: 128.13134851

개요

structure in first source

이름 및 식별자

우선 이름: 2-Aminomethyl-1-ethylpyrrolidine
IUPAC: (1-ethylpyrrolidin-2-yl)methanamine
영어명: 2-(Aminomethyl)-1-ethylpyrrolidine
분자식: C7H16N2
분자량: 128.22

이름 및 동의어

2-Aminomethyl-1-ethylpyrrolidineRefChem:757822-A-1-EP2-(Aminomethyl)-1-ethylpyrrolidine26116-12-1(1-ethylpyrrolidin-2-yl)methanamine2-Pyrrolidinemethanamine, 1-ethyl-1-Ethylpyrrolidin-2-ylmethylamineMFCD00003178n-ethyl-2-aminomethylpyrrolidine1-(1-ethylpyrrolidin-2-yl)methanamine(1-ethylpyrrolidin-2-yl)methylamine

이름 더 보기

Sulpiride impurity A CRSAmisulpride EP Impurity An-ethyl-2-methylaminopyrrolidine)-1-ethyLRefer to S-402Sulpiride EP Impurity ASulpiride Impurity A(EP)1-Ethyl-2-pyrrolidinemethylamine

DTXSID30576982-(Aminomethyl)-N-ethylpyrrolidineSULPIRIDE IMPURITY APyrrolidine, 2-(aminomethyl)-1-ethyl-K2U95PPN4Z1-ethyl-2-pyrrolidinemethanamine1-Ethyl-2-(aminomethyl)pyrrolidineN-Ethyl-2-(aminomethyl)pyrrolidine

데이터베이스 식별자

CAS: 26116-12-1
PubChem CID: 117295
DTXSID: DTXSID3057698
ChEMBL: CHEMBL3183533
UNII: K2U95PPN4Z
EC Number: 247-466-3
Nikkaji: J38.398H

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 83

물리화학적 성질

끓는 점: 58 · 58-60 °C16 mm Hg(lit.)
밀도: 0.884 g/mL · 0.884 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4670(lit.)
인화점: 135 °F · 135 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(소량으로 용해), 메탄올(소량으로 용해)
산도 계수 (pKa): 10.04 · 10.04±0.40(Predicted)
물리적 상태: 액체
색상: 맑은 노란색
InChI: InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3
InChIKey: UNRBEYYLYRXYCG-UHFFFAOYSA-N
SMILES: N1(CC)CCCC1CN
LogP: 0.433 · 0.433 (est)
NIST: 2 · 2-Pyrrolidinemethanamine, 1-ethyl-(26116-12-1)

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (96.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 59 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.