3-피페콜린

3-Methylpiperidine

기본 정보

CAS: 626-56-2
표준 SMILES: CC1CCCNC1
InChIKey: JEGMWWXJUXDNJN-UHFFFAOYSA-N
분자식: C6H13N
평균 분자량: 99.17 g/mol
단동위원소 질량: 99.10479942

개요

3-methylpiperidine appears as a colorless liquid with a characteristic odor. Less dense than water. Contact may cause severe irritation to skin, eyes, and mucous membranes. Toxic by ingestion, inhalation and skin absorption.

이름 및 식별자

우선 이름: 3-Methylpiperidine
IUPAC: 3-methylpiperidine
현지명: 3-피페콜린
영어명: 3-Methylpiperidine
분자식: C6H13N
분자량: 99.17

이름 및 동의어

3-Methylpiperidine626-56-23-PipecolinePiperidine, 3-methyl-beta-Pipecolinebeta-MethylpiperidineDTXSID4029195FDI976OYASNSC-66494J11.560FDTXCID809195RefChem:94955

이름 더 보기

3-피페콜린메틸피페리딘3-메틸피페리딘3PPCBETA-PIPECOLIN3-PIPECOLINE 99.5%3-methyl-piperidin3-methylpepiridine3-pipercoline(beta-)

210-953-6.beta.-PipecolineMFCD00005994.beta.-Methylpiperidine3-Methyl-piperidine(+/-)-3-methylpiperidineUNII-FDI976OYAS(R)-(-)-3-Methyl-piperidine

데이터베이스 식별자

CAS: 626-56-2
PubChem CID: 79081
DTXSID: DTXSID4029195
ChEMBL: CHEMBL279512
UNII: FDI976OYAS
EC Number: 210-953-6
Nikkaji: J11.560F

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 52.1

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physical Description3-methylpiperidine appears as a colorless liquid with a characteristic odor. Less dense than water. Contact may cause severe irritation to skin, eyes, and mucous membranes. Toxic by ingestion, inhalation and skin absorption.

물리화학적 성질

녹는점: -24 °C · -24 °C
끓는 점: 125 · 125-126 °C/763 mmHg (lit.)
밀도: 0.845 g/mL · 0.845 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.447(lit.)
인화점: 63 °F · 63 °F
저장 조건: Flammables area
산도 계수 (pKa): 1 · pK1:11.07(+1) (25°C)
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
수용성: 혼용 가능
BRN: 79807 · 79807
InChI: InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3
InChIKey: JEGMWWXJUXDNJN-UHFFFAOYSA-N

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

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

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Piperidine, 3-methyl-

DOT LabelCorrosive Flammable Liquid

Fire HazardsExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Health HazardsExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Reactive GroupAmines, Phosphines, and Pyridines

Reactivity AlertsHighly Flammable

화학 및 산업

용도 및 제조

General Manufacturing InformationPiperidine, 3-methyl-: ACTIVE

응용 분야 · 2건

용도3-Methylpiperidine, is used as a reactant for synthesis of Phenylpropenamide derivatives for anti-hepatitis B virus activity, CB2 receptor agonists for treatment of chronic pain, aurora kinase inhibitors, spiroimidazolidinone NPC1L1 inhibitors, 1,3,5-Oxadiazinones, selective serotonin 5-HT6 receptor antagonists. It is also used as a pharmaceutical intermediate and as a intermediate in organic synthesis.

일반 설명A colorless liquid with a characteristic odor. Less dense than water. Flash point less than 141°F. Contact may cause severe irritation to skin, eyes, and mucous membranes. Toxic by ingestion, inhalation and skin absorption.

화합물 노트

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기본 정보

CAS: 626-56-2
표준 SMILES: CC1CCCNC1
InChIKey: JEGMWWXJUXDNJN-UHFFFAOYSA-N
분자식: C6H13N
평균 분자량: 99.17 g/mol
단동위원소 질량: 99.10479942

개요