4-에틸피페리딘

4-Ethylpiperidine

HCID 76704CAS 3230-23-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC1CCNCC1
InChIKey: KWHPWBXOLZTZMJ-UHFFFAOYSA-N
분자식: C7H15N
평균 분자량: 113.2 g/mol
단동위원소 질량: 113.12044948

이름 및 식별자

우선 이름: 4-Ethylpiperidine
IUPAC: 4-ethylpiperidine
현지명: 4-에틸피페리딘
영어명: 4-ethylpiperidine
분자식: C7H15N
분자량: 113.2

이름 및 동의어

4-Ethylpiperidine3230-23-7EINECS 221-766-4DTXSID60186036NSC 211473RefChem:522887DTXCID70108527221-766-4Piperidine, 4-ethyl-4-Ethyl-piperidineMFCD01872520NSC-211473

이름 더 보기

4-에틸피페리딘4-Ethylpiperidine AldrichCPR4-ethylpiperidine(SALTDATA: FREE)

GDL85J4ENFSCHEMBL12614SCHEMBL60981SCHEMBL292165SCHEMBL3575484-Ethylpiperidine, AldrichCPRSCHEMBL4328788SCHEMBL16619685

데이터베이스 식별자

CAS: 3230-23-7
PubChem CID: 76704
DTXSID: DTXSID60186036
UNII: GDL85J4ENF
EC Number: 221-766-4
Nikkaji: J77.329H

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 55

실험 및 물리화학적 성질

Kovats Retention Index924

물리화학적 성질

끓는 점: 131.98 °C · 131.98°C (estimate)
밀도: 0.8759 · 0.8759
굴절률: 1.4503 · 1.4503
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: solid
산도 계수 (pKa): 10.7 · 10.70±0.10(Predicted)
InChI: 1S/C7H15N/c1-2-7-3-5-8-6-4-7/h7-8H,2-6H2,1H3
InChIKey: KWHPWBXOLZTZMJ-UHFFFAOYSA-N
SMILES: CCC1CCNCC1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.