2-메틸피롤리딘
2-Methylpyrrolidine
기본 정보
- CAS
765-38-8- 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 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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.
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