CAS 1903-68-0 N,N-dimethylpiperidine-4-carboxamide (HCID 411689)

기본 정보

CAS: 1903-68-0
표준 SMILES: CN(C)C(=O)C1CCNCC1
InChIKey: XGABIOSYJHFORX-UHFFFAOYSA-N
분자식: C8H16N2O
평균 분자량: 156.23 g/mol
단동위원소 질량: 156.12626314

이름 및 식별자

우선 이름: N,N-dimethylpiperidine-4-carboxamide
IUPAC: N,N-dimethylpiperidine-4-carboxamide
현지명: N,N-디메틸피페리딘-4-카르복사미드
영어명: N,N-DIMETHYLPIPERIDINE-4-CARBOXAMIDE
분자식: C8H16N2O
분자량: 156.23

이름 및 동의어

N,N-dimethylpiperidine-4-carboxamide1903-68-0DTXSID90328548RefChem:359408DTXCID602796544-Piperidinecarboxamide, N,N-dimethyl-MFCD03372521n,n-dimethyl-4-piperidinecarboxamideCHEMBL3622604piperidine-4-carboxylic acid dimethylamideN,N-dimethylisonipecotamideSCHEMBL40096

이름 더 보기

N,N-디메틸피페리딘-4-카르복사미드N,Ndimethylpiperidine-4-caboxamide Hydrocloride

SCHEMBL1712823XGABIOSYJHFORX-UHFFFAOYSA-NALBB-013526BDBM50498770ZINC01668206AKOS000119244SB41903BS-13399

데이터베이스 식별자

CAS: 1903-68-0
PubChem CID: 411689
DTXSID: DTXSID90328548
ChEMBL: CHEMBL3622604
EC Number: 803-215-5

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

물리화학적 성질

녹는점: 169 · 169-170 °C
끓는 점: 269.1 · 269.1±29.0 °C(Predicted)
밀도: 0.991 · 0.991±0.06 g/cm3(Predicted)
산도 계수 (pKa): 9.87 · 9.87±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.