CAS 3367-95-1 N,N-Diethylpiperidine-3-carboxamide (HCID 18793)

기본 정보

CAS: 3367-95-1
표준 SMILES: CCN(CC)C(=O)C1CCCNC1
InChIKey: ZXQKYQVJDRTTLZ-UHFFFAOYSA-N
분자식: C10H20N2O
평균 분자량: 184.28 g/mol
단동위원소 질량: 184.15756327

이름 및 식별자

우선 이름: N,N-Diethylpiperidine-3-carboxamide
IUPAC: N,N-diethylpiperidine-3-carboxamide
영어명: N,N-Diethylnipecotamide
분자식: C10H20N2O
분자량: 184.28

이름 및 동의어

N,N-Diethylpiperidine-3-carboxamideN,N-Diethyl-3-piperidinecarboxamideDTXSID40955287RefChem:822339DTXCID701383288222-136-1N,N-Diethylnipecotamide3367-95-13-Piperidinecarboxamide, N,N-diethyl-NIPECOTAMIDE, N,N-DIETHYL-3-(N,N-Diethylcarbamoyl)piperidineDiethylnipecotamide

이름 더 보기

LABOTEST-BB LT00159306n,n-diethyl-nipecotamidN,N-Diethylnipecotamide, tech.N,N-Diethylnipecotamide,75%,tech.n,n-diethyl-3-piperidinecarboxamid

MFCD00005990BRN 0005401piperidine-3-carboxylic acid diethylamideN,N-DiethylnipeotamideHUA6N8KRA7GEO-01047AKOS000165905AKOS017343298

데이터베이스 식별자

CAS: 3367-95-1
PubChem CID: 18793
DTXSID: DTXSID40955287
UNII: HUA6N8KRA7
EC Number: 222-136-1
Nikkaji: J205.448E

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 166

물리화학적 성질

끓는 점: 111 °C6.1 · 111 °C6.1 mm Hg(lit.)
밀도: 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.489(lit.)
인화점: 230 °F · >230 °F
산도 계수 (pKa): 9.59 · 9.59±0.10(Predicted)
물리적 상태: liquid
InChI: 1S/C10H20N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h9,11H,3-8H2,1-2H3
InChIKey: ZXQKYQVJDRTTLZ-UHFFFAOYSA-N
SMILES: CCN(CC)C(=O)C1CCCNC1

화학적 성질

CLEAR COLOURLESS TO YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: QU1920000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도N,N-Diethylnipecotamide is a reactant for synthesis of: Antituberculosis drugs1 Spiroimidazolidinone NPC1L1 inhibitors2 Acyl-CoA:cholesterol acyltransferase inhibitors3 Alpha 7 nicotinic acetylcholine receptor agonist4 Antimycobacterials5 Isocyanoamides useful as starting materials in IMCR6

공급사28 곳

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

Aladdin Scientific[email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

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