4-히드록시피페리딘

Piperidin-4-ol

HCID 79341CAS 5382-16-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OC1CCNCC1
InChIKey: HDOWRFHMPULYOA-UHFFFAOYSA-N
분자식: C5H11NO
평균 분자량: 101.15 g/mol
단동위원소 질량: 101.08406397

이름 및 식별자

우선 이름: Piperidin-4-ol
IUPAC: piperidin-4-ol
현지명: 4-히드록시피페리딘
영어명: 4-Hydroxypiperidine
분자식: C5H11NO
분자량: 101.15

이름 및 동의어

4-HydroxypiperidinePiperidin-4-ol4-PiperidinolKC61EA060XEINECS 226-373-1NSC 62083NSC-62083UNII-KC61EA060XAI3-391584-HYDROXYHEXAHYDROPYRIDINEDTXSID102020984-piperidinol (4-hydroxypiperidine)

이름 더 보기

4-히드록시피페리딘4PPOL4-piperidinylAURORA KA-1006Piperidine-4α-olPiperidine-4β-ol4-Hydropiperidine4-Piperidinol ,99%4-hydroxypiperdine

4piperidinolPiperidin4olRefChem:174423DTXCID10124589UN3263226-373-1HDOWRFHMPULYOA-UHFFFAOYSA-N5382-16-1

데이터베이스 식별자

CAS: 5382-16-1
PubChem CID: 79341
DTXSID: DTXSID10202098
ChEMBL: CHEMBL284022
UNII: KC61EA060X
EC Number: 226-373-1
Nikkaji: J86.548F

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 50

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other

Physical DescriptionHygroscopic solid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 86 · 86-90 °C
끓는 점: 108 · 108-114 °C/10 mmHg (lit.)
밀도: 0.9903 · 0.9903 (rough estimate)
증기압: 13 Pa · 13Pa at 25℃
굴절률: 1.44 · 1.4400 (estimate)
인화점: 226 °F · 226 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 14.94 · 14.94±0.20(Predicted)
색상: 황백색에서 연한 노란색
수소이온지수(pH): 11.5 · 11.5-11.7 (H2O)Aqueous solution
수용성: 녹는
BRN: 102738 · 102738
InChI: 1S/C5H11NO/c7-5-1-3-6-4-2-5/h5-7H,1-4H2
InChIKey: HDOWRFHMPULYOA-UHFFFAOYSA-N
SMILES: OC1CCNCC1
LogP: -0.35 at · -0.35 at 25℃
NIST: 4 · 4-Hydroxypiperidine(5382-16-1)

화학적 성질

yellow to yellow-orange wet solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (24.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 4-Piperidinol

Status: Active Update: 03-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20857

4-Piperidinol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (24.4%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
ridadr: 3263
HS 번호: 29333999
risk_code: 36/37/38-34
hazard_code: Xi,C
safety_code: 26-36-37/39-45-36/37/39-27
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Hydroxypiperidine is used as a reagent for the synthesis of acridine (A190900) derivatives and fibrinogen receptor antagonists.

일반 설명The molecular structure, vibrational spectra, NBO and UV-spectral analysis of 4-Hydroxypiperidine have been studied. The compounds with a substituted 4-piperidinol core have been found to be potent antagonists of the human H(3) receptor.