2-메틸피롤리딘

2-Methylpyrrolidine

HCID 13003CAS 765-38-8

기본 정보

표준 SMILES: CC1CCCN1
InChIKey: RGHPCLZJAFCTIK-UHFFFAOYSA-N
분자식: C5H11N
평균 분자량: 85.15 g/mol
단동위원소 질량: 85.08914935

개요

2-methylpyrrolidine is a member of the class of pyrrolidines that is pyrrolidine which is substituted by a methyl group at position 2. It has a role as a plant metabolite.

이름 및 식별자

우선 이름: 2-Methylpyrrolidine
IUPAC: 2-methylpyrrolidine
현지명: 2-메틸피롤리딘
영어명: 2-Methylpyrrolidine
분자식: C5H11N
분자량: 85.15

이름 및 동의어

2-METHYLPYRROLIDINE765-38-8Pyrrolidine, 2-methyl-CHEBI:145240DTXSID70883347RefChem:88382DTXCID70869429212-144-3MFCD000144912-methyl pyrrolidine2-Methyl-pyrrolidine2-methylpyrolidine

이름 더 보기

2-메틸피롤리딘RMA-5592-methyl-pyrrolidin2-MethylpyrrolidineHCl2-methyl-1-pyrrolidine2-Methylpyrrolidine,98%2-Methylpyrrolidine, 98% 2GRHydroxychloroquine Impurity 16Hydroxychloroquine Impurity 56

2-methylpyrroldine2-methyl-pyrolidineEINECS 212-144-3rac-2-methyl-pyrrolidinerac.-2-methylpyrrolidine2-(RS)-methylpyrrolidineracemic 2-methylpyrrolidine2-Methylpyrrolidine, 96%

데이터베이스 식별자

CAS: 765-38-8
PubChem CID: 13003
DTXSID: DTXSID70883347
ChEBI: CHEBI:145240
EC Number: 212-144-3
Nikkaji: J193.131H

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 43.2

물리화학적 성질

녹는점: -96.37 °C · -96.37°C (estimate)
끓는 점: 97 · 97-99 °C/744 mmHg (lit.)
밀도: 0.834 g/mL · 0.834 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.437(lit.)
인화점: 37 °F · 37 °F
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 10.93 · 10.93±0.10(Predicted)
물리적 상태: 액체
색상: 무색투명~연황색
수용성: 녹는
InChI: InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3
InChIKey: RGHPCLZJAFCTIK-UHFFFAOYSA-N
SMILES: N1CCCC1C
NIST: 2 · 2-Methylpyrrolidine(765-38-8)
EPA: 2 · Pyrrolidine, 2-methyl- (765-38-8)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Pyrrolidine, 2-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2924 3/PG 2
HS 번호: 29339900
risk_code: 11-34-22
hazard_code: F,C
safety_code: 16-26-36/37/39-45
포장분류: II
위험 등급: 3
기존화학 물질: KE-25323
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPyrrolidine, 2-methyl-: INACTIVE

응용 분야

용도2-Methylpyrrolidine can be used to produce2-(2-methylpyrrolidinyl)benzaldehydeat the temperature of152°C. It is commonly used as organic reagent.

일반 설명2-Methylpyrrolidine is a substituted pyrrolidine. It is one of the major bioactive compounds found in Teucrium manghuaense. The hydrodenitrogenation of 2-methylpyrrolidine in the presence of sulfided NiMo/γ-Al2O3 catalyst has been studied.