3-Pyridinemethanol (HCID 7510)

개요

3-pyridinemethanol is a member of the class of pyridines that is pyridine which is substituted by a hydroxymethyl group at position 3. It has a role as a vasodilator agent and an antilipemic drug. It is a member of pyridines and an aromatic primary alcohol.

이름 및 식별자

우선 이름: 3-Pyridinemethanol
IUPAC: pyridin-3-ylmethanol
현지명: 3-피리딘메탄올
영어명: 3-Pyridinemethanol
분자식: C6H7NO
분자량: 109.13

이름 및 동의어

3-PYRIDINEMETHANOL100-55-0pyridin-3-ylmethanolNicotinyl alcohol3-(Hydroxymethyl)pyridine3-Pyridylcarbinol3-PyridylmethanolNicotinic alcohol3-PyridinylmethanolPyridylcarbinolPyridine-3-carbinolPyridine-3-methanol

이름 더 보기

3-피리딘메탄올니코티닐알코올Pyridyl-3-methanolRONICOL

Pyridylmethanolbeta-PyridylcarbinolNU-21213-Picolyl alcoholbeta-Picolyl alcoholbeta-PyridinecarbinolRo-1-51553-Hydroxymethylpyridine

데이터베이스 식별자

CAS: 100-55-0
PubChem CID: 7510
DTXSID: DTXSID6023367
ChEMBL: CHEMBL1235535
ChEBI: CHEBI:45213
UNII: 9TF312056Y
EC Number: 202-864-6
Nikkaji: J4.983B

물성

구조 계산 물성

XLogP: 0
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 65.5

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyridines

DrugsPharmaceuticals -> Listed in ZINC15

CosmeticsTonic

SpringerMaterials PropertiesChemical shift

Vapor Pressure0.02 [mmHg]

Physical DescriptionHighly hygroscopic liquid; [Merck Index] Clear light yellow to yellow hygroscopic liquid; [Acros Organics MSDS]

물리화학적 성질

녹는점: -7 °C · -7 °C
끓는 점: 154 °C/28 · 154 °C/28 mmHg (lit.)
밀도: 1.124 g/mL · 1.124 g/mL at 25 °C (lit.)
증기압: 0.342 Pa · 0.342Pa at 20℃
굴절률: 20 · n20/D 1.545(lit.)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 1000 mg/l · 1000mg/l
산도 계수 (pKa): 13.68 · 13.68±0.10(Predicted)
물리적 상태: 액체 (투명)
색상: 맑은 연한 노란색
수소이온지수(pH): 7 · 7-8 (100g/l, H2O, 20℃)
수용성: 녹는
Merck: 14 · 14,6527
BRN: 107851 · 107851
화장품 원료 기능: 토닉
InChI: 1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
InChIKey: MVQVNTPHUGQQHK-UHFFFAOYSA-N
SMILES: OCc1cccnc1
LogP: -0.11 at · -0.11 at 25℃
표면장력: 47.68 mN/m · 47.68 mN/m at 23°
NIST: Nicotinyl Alcohol(100-55-0)
EPA: 3 · 3-Pyridinemethanol (100-55-0)

화학적 성질

CLEAR LIGHT YELLOW TO YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (91.7%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 60 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 07-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22223

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

Hazards Summary · 1건

No fetal toxicity observed in mice orally administered up to 1,000 mg/kg during organogenesis; [Shepard's Catalog of Teratogenic Agents] Intravenous LD50 (mouse) = 1,000 mg/kg; [RTECS] An irritant; Harmful by ingestion; [Acros Organics MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (91.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UT4690000
HS 번호: 29333999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
기존화학 물질: KE-29943
F 고인화성물질: 3-10-23
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

ATC Code · 4건

C - Cardiovascular system

QC - Cardiovascular system

MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.

용도 및 제조

UsesUsed to solubilize riboflavin and as a peripheral vasodilator; [Merck Index] Alcohol analog of nicotinic acid; A direct-acting peripheral vasodilator that is used in vasospasm and threatened gangrene; [ChemIDplus]

Use ClassificationCosmetics -> Tonic

General Manufacturing Information3-Pyridinemethanol: ACTIVE

응용 분야

용도3-Pyridinemethanol can be used as antineoplastic and used in the synthesis of histone deacetylase inhibitors.

일반 설명3-Pyridinemethanol, an aromatic primary alcohol, is the key moiety of many bio-active and industrially important compounds.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

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3-피리딘메탄올

기본 정보

개요