1-(Pyridin-4-yl)piperidine-4-carboxylic acid

HCID 1268289

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 93913-86-1
표준 SMILES: O=C(O)C1CCN(c2ccncc2)CC1
InChIKey: UISWRUUBFFHGLE-UHFFFAOYSA-N
분자식: C11H14N2O2
평균 분자량: 206.24 g/mol
단동위원소 질량: 206.10552769

이름 및 식별자

우선 이름: 1-(Pyridin-4-yl)piperidine-4-carboxylic acid
IUPAC: 1-pyridin-4-ylpiperidine-4-carboxylic acid
영어명: 1-(PYRIDIN-4-YL)-PIPERIDINE-4-CARBOXYLIC ACID
분자식: C11H14N2O2
분자량: 206.24

이름 및 동의어

93913-86-11-(pyridin-4-yl)piperidine-4-carboxylic acidDTXSID80917203RefChem:1054763DTXCID5013461631-pyridine-4-yl-piperidine-4-carboxylic acid1-pyridin-4-ylpiperidine-4-carboxylic AcidMFCD082352201-(pyridin-4-yl)-piperidine-4-carboxylic acid4-Piperidinecarboxylic acid, 1-(4-pyridinyl)-3,4,5,6-tetrahydro-2h-[1,4']bipyridinyl-4-carboxylic acid1-(4-pyridyl)piperidine-4-carboxylic acid

이름 더 보기

DK77201-Pyridin-4-yl-piperidine-4-carboxy4-carboxy-N-(4'-pyridino) piperidine?4-carboxy-N-(4'-pyridino) piperidine1-pyridin-4-yl-4-piperidinecarboxylic acid

1-Pyridin-4-yl-piperidine-4-carboxylic acid1-(4-pyridinyl)-4-piperidinecarboxylic acid1-Pyridine-4-yl-piperidine-4-carboxylicacidSCHEMBL742952orb3213739N-(4-pyridyl)isonipecotic acidN-Pyridin-4-ylisonipecotic acidUISWRUUBFFHGLE-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 93913-86-1
PubChem CID: 1268289
DTXSID: DTXSID80917203
EC Number: 674-808-2

물성

구조 계산 물성

XLogP: 1
극성 표면적: 53.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 219

물리화학적 성질

끓는 점: 407.9 · 407.9±35.0 °C(Predicted)
밀도: 1.233 · 1.233±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.4 · 4.40±0.20(Predicted)
InChI: InChI=1S/C11H14N2O2/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)
InChIKey: UISWRUUBFFHGLE-UHFFFAOYSA-N
SMILES: N1(C2C=CN=CC=2)CCC(C(O)=O)CC1

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.