기본 정보
- CAS
744221-34-9- 표준 SMILES
OCc1cccnc1- InChIKey
MVQVNTPHUGQQHK-UHFFFAOYSA-N- 분자식
- C6H7NO
- 평균 분자량
- 109.13 g/mol
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-피리딜)메틸알코올
- 영어명
- (3-pyridyl)methyl alcohol
- 분자식
- C6H7NO
- 분자량
- 109
이름 및 동의어
3-PYRIDINEMETHANOL100-55-0pyridin-3-ylmethanolNicotinyl alcohol3-(Hydroxymethyl)pyridine3-Pyridylcarbinol3-PyridylmethanolNicotinic alcohol3-PyridinylmethanolPyridylcarbinolPyridine-3-carbinolPyridine-3-methanol
이름 더 보기
(3-피리딜)메틸알코올(3-pyridyl)methyl alcohol
Pyridylmethanolbeta-PyridylcarbinolNU-21213-Picolyl alcoholbeta-Picolyl alcoholbeta-PyridinecarbinolRo-1-51553-Hydroxymethylpyridine
데이터베이스 식별자
- CAS
744221-34-9- 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 Ų
- 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
LogP-0.02
Vapor Pressure0.02 [mmHg]
Physical DescriptionHighly hygroscopic liquid; [Merck Index] Clear light yellow to yellow hygroscopic liquid; [Acros Organics MSDS]
Collision Cross Section119.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6023367]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
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%)
화학 및 산업
약리 정보
ATC Code
C - Cardiovascular system
C - Cardiovascular system
QC - 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
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