CAS 50675-21-3 1-Methylpiperidine-4-carbaldehyde (HCID 12535228)

기본 정보

CAS: 50675-21-3
표준 SMILES: CN1CCC(C=O)CC1
InChIKey: LKIYWJKEOOFVCV-UHFFFAOYSA-N
분자식: C7H13NO
평균 분자량: 127.18 g/mol
단동위원소 질량: 127.09971404

이름 및 식별자

우선 이름: 1-Methylpiperidine-4-carbaldehyde
IUPAC: 1-methylpiperidine-4-carbaldehyde
현지명: 1-메틸피페리딘-4-카발데하이드
영어명: 1-Methylpiperidine-4-carbaldehyde
분자식: C7H13NO
분자량: 127.18

이름 및 동의어

1-methylpiperidine-4-carbaldehyde50675-21-31-Methyl-4-piperidinecarboxaldehydeDTXSID30501636RefChem:434660DTXCID20452446800-487-7MFCD080600511-Methyl-piperidine-4-carbaldehydeN-Methyl-Piperidine-4-carboxaldehyde1-methylpiperidine-4-carboxaldehyde4-Piperidinecarboxaldehyde, 1-methyl-

이름 더 보기

1-메틸피페리딘-4-카발데하이드CHEMBRDG-BB 40179121-METHYLPIPERIDINE-4-CARBALDEH1-methyl-4-piperidinecarboxyaldehyde1-methylpiperidine-4-carbaldehyde(SALTDATA: FREE)

SCHEMBL464560SCHEMBL475277SCHEMBL279787881-methyl-4-piperidinecarbaldehydeLKIYWJKEOOFVCV-UHFFFAOYSA-Nl-methylpiperidine-4-carboxaldehydeAKOS005207280SB41380

데이터베이스 식별자

CAS: 50675-21-3
PubChem CID: 12535228
DTXSID: DTXSID30501636
EC Number: 800-487-7

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 95.1

물리화학적 성질

끓는 점: 173 ℃ · 173℃
밀도: 1.024 · 1.024
인화점: 53 ℃ · 53℃
저장 조건: -20 °C · Store at -20 °C
산도 계수 (pKa): 8.61 · 8.61±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.