CAS 1484-84-0 2-Piperidin-2-ylethanol (HCID 15144)

이름 및 식별자

우선 이름: 2-Piperidin-2-ylethanol
IUPAC: 2-piperidin-2-ylethanol
현지명: 2-피페리딘에탄올
영어명: 2-Piperidineethanol
분자식: C7H15NO
분자량: 129.2

이름 및 동의어

1484-84-02-(2-Hydroxyethyl)piperidine2-(piperidin-2-yl)ethanol2-Piperidin-2-ylethanol2-Piperidine ethanol2-(2-Piperidinyl)ethanolUNII-EHY6X8X6JQEHY6X8X6JQJ133CNSC 9261NSC-9261EINECS 216-059-2

이름 더 보기

2-피페리딘에탄올PIPERIDINE-2-ETHANOL(S)-2-Piperidineethanol2-PIPERIDIN-2-YL-ETHANOL2PPRE2-PIPERIDYLETHANOL2-Piperidenethanolβ-Piperidylethanol

AI3-36432PTHDBHDZSMGHKF-UHFFFAOYSA-EC 216-059-2RefChem:197930(+-)-2-PIPERIDINEETHANOLInChI=1/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H22-PIPERIDINEETHANOL2-(2-piperidyl)ethan-1-ol

데이터베이스 식별자

CAS: 1484-84-0
PubChem CID: 15144
DTXSID: DTXSID3044837
ChEMBL: CHEMBL3188566
UNII: EHY6X8X6JQ
EC Number: 216-059-2
Nikkaji: J133C

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 75.3

실험 및 물리화학적 성질

LogP0.11

Collision Cross Section126.6 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3044837]

물리화학적 성질

녹는점: 38 · 38-40 °C (lit.)
끓는 점: 234 °C · 234 °C (lit.)
밀도: 1.01 · 1.01
증기압: 0.75 · 0.75-13.04Pa at 20-50℃
굴절률: 1.4749 · 1.4749 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 결정질 저융점 고체
산도 계수 (pKa): 15.15 · 15.15±0.10(Predicted)
색상: 흰색에서 연한 노란색
냄새: Mild, sweet, nauseating-floral, warm-herbaceous odor of moderate tenacity.
수용성: 녹는
Henry's Law Constant: 3.9 · 3.9×102 mol/(m3Pa) at 25℃, Du et al. (2017)
InChI: 1S/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H2
InChIKey: PTHDBHDZSMGHKF-UHFFFAOYSA-N
SMILES: OCCC1CCCCN1
LogP: 0.263 at · 0.263 at 22.5℃
표면장력: 60.75 mN/m · 60.75mN/m at 1g/L and 20℃
NIST: 2 · 2-(2-Hydroxyethyl)piperidine(1484-84-0)
EPA: 2 · 2-Piperidineethanol (1484-84-0)

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 86 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Piperidineethanol

2-Piperidineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Piperidineethanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 01-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18066

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3263 8/PG 2
HS 번호: 29339900
risk_code: 20/21/22-34-36/37/38
hazard_code: C,Xi
safety_code: 26-27-28-36/37/39-45-24/25
포장분류: III
위험 등급: 8
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb

General Manufacturing Information2-Piperidineethanol: ACTIVE

응용 분야

용도2-Piperidineethanol is useful in preparation of a novel class of pyrazolopyrimidines as inhibitors of protein and checkpoint kinases useful in treatment and prophylaxis of HCV infection and other diseases such as cancer.