6-PIPERAZINONICOTINO니트릴

6-(Piperazin-1-yl)pyridine-3-carbonitrile

HCID 2737184

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 149554-29-0
표준 SMILES: N#Cc1ccc(N2CCNCC2)nc1
InChIKey: ZYNPMKJQFWNFMI-UHFFFAOYSA-N
분자식: C10H12N4
평균 분자량: 188.23 g/mol
단동위원소 질량: 188.10619638

이름 및 식별자

우선 이름: 6-(Piperazin-1-yl)pyridine-3-carbonitrile
IUPAC: 6-piperazin-1-ylpyridine-3-carbonitrile
현지명: 6-PIPERAZINONICOTINO니트릴
영어명: 6-Piperazinonicotinonitrile
분자식: C10H12N4
분자량: 188.23

이름 및 동의어

149554-29-06-(Piperazin-1-Yl)Pyridine-3-CarbonitrileDTXSID10371899RefChem:306917DTXCID60322932673-113-16-(piperazin-1-yl)nicotinonitrile6-Piperazinonicotinonitrile6-piperazin-1-ylpyridine-3-carbonitrile6-piperazin-1-yl-nicotinonitrileMFCD008330243-Pyridinecarbonitrile, 6-(1-piperazinyl)-

이름 더 보기

6-PIPERAZINONICOTINO니트릴BUTTPARK 37\12-476-(Piperazin-1-yl)6-PIERAZINONICOTINONITRILE6-Piperazinonicotinonitrile ,98%6-(1-Piperazinyl)nicotinonitrile6-Piperazinonicotinonitrile, tech2-(Piperazin-1-yl)-5-pyridinecarbo2-(1-PIPERAZINO)PYRIDINE-5-CARBONITRILE

Maybridge3_0074382-(piperazin-1-yl)-5-pyridinecarbonitrile6-(Piperazino)pyridine-3-carbonitrileSCHEMBL231983N-(5-cyano-2-pyridyl)piperazineGS0789AKOS000149236D72681

데이터베이스 식별자

CAS: 149554-29-0
PubChem CID: 2737184
DTXSID: DTXSID10371899
EC Number: 673-113-1

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 52 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 226

물리화학적 성질

녹는점: 131 °C · 131 °C
끓는 점: 403.2 · 403.2±40.0 °C(Predicted)
밀도: 1.22 · 1.22±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 8.47 · 8.47±0.10(Predicted)
InChI: InChI=1S/C10H12N4/c11-7-9-1-2-10(13-8-9)14-5-3-12-4-6-14/h1-2,8,12H,3-6H2
InChIKey: ZYNPMKJQFWNFMI-UHFFFAOYSA-N
SMILES: C1=NC(N2CCNCC2)=CC=C1C#N

화학적 성질

Colorless to light yellow powder or chunks

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
ridadr: 3439
HS 번호: 29339900
risk_code: 20/21/22-36/37/38-25
hazard_code: Xi,T
safety_code: 26-36/37/39-45-24/25-23
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도6-Piperazinonicotinonitrile acts as a reagent in the synthesis and molecular docking studies of piperazine-derived constrained inhibitors of DPP-IV for treatment of type 2 Diabetes.