1-Piperidinecarbonyl chloride

HCID 242085CAS 13939-69-0

기본 정보

표준 SMILES: O=C(Cl)N1CCCCC1
InChIKey: BIFDXOOJPDHKJH-UHFFFAOYSA-N
분자식: C6H10ClNO
평균 분자량: 147.6 g/mol
단동위원소 질량: 147.0450916

이름 및 식별자

우선 이름: 1-Piperidinecarbonyl chloride
IUPAC: piperidine-1-carbonyl chloride
영어명: 1-Piperidinecarbonyl chloride
분자식: C6H10ClNO
분자량: 147.6

이름 및 동의어

1-Piperidinecarbonyl chloride13939-69-0DTXSID30287307RefChem:77027DTXCID30238455604-129-9piperidine-1-carbonyl chloride1-PiperidinecarbonylchlorideMFCD009735541-(chlorocarbonyl)piperidineNSC 50227QLE3AUF3ZD

이름 더 보기

SKL12051-piperidinyl chlorideN-Piperidinecarbonyl chloride1-Piperidinecarbonyl chloride 97%1-Piperidinecarbonyl chloride (6CI,7CI,8CI,9CI)

piperidinocarbonyl chlorideNSC-50227N-Chloroformylpiperidinepiperidine-d10-carbonyl chlorideUNII-QLE3AUF3ZDpiperidylcarbonyl chloridepiperidinecarbonyl chlorideN-chlorocarbonyl-piperidine

데이터베이스 식별자

CAS: 13939-69-0
PubChem CID: 242085
DTXSID: DTXSID30287307
UNII: QLE3AUF3ZD
EC Number: 604-129-9
Nikkaji: J807.897A

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 110

물리화학적 성질

끓는 점: 242 °C · 242 °C (lit.)
밀도: 1.18 g/mL · 1.18 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.459(lit.)
인화점: 110 °C · 110 °C
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): -1.85 · -1.85±0.20(Predicted)
InChI: InChI=1S/C6H10ClNO/c7-6(9)8-4-2-1-3-5-8/h1-5H2
InChIKey: BIFDXOOJPDHKJH-UHFFFAOYSA-N
SMILES: C(Cl)(N1CCCCC1)=O

안전 및 규제

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 3
HS 번호: 2933399990
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
위험 등급: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도Reactant for synthesis of: A coumarin-based HIV-1 Vpr inhibitor1 Antitumor agents as potent chemosensitizers2 Oxime carbamates as reversible inhibitors of fatty acid amide hydrolase3 Dipeptidyl peptidase 4 inhibitors for the treatment of type 2 diabetes4 Bisarylmaleimide glycogen synthase kinase-3 inhibitors5 Lysosomal acid lipase inhibitors and potential Niemann-Pick type C disease therapeutics6