4-Aminopyridine-3-methanol

HCID 10796739CAS 138116-34-4

기본 정보

표준 SMILES: Nc1ccncc1CO
InChIKey: WNBVEYMTVDMSFZ-UHFFFAOYSA-N
분자식: C6H8N2O
평균 분자량: 124.14 g/mol
단동위원소 질량: 124.06366288

개요

4-aminopyridine-3-methanol is an aminopyridine that is 4-aminopyridine which is substituted by a hydroxymethyl group at position 3. It is a potassium channel blocker which restores axonal conduction after spinal cord injury. It has a role as a potassium channel blocker. It is an aromatic primary alcohol, an aromatic amine and an aminopyridine. It is functionally related to a 4-aminopyridine.

이름 및 식별자

우선 이름: 4-Aminopyridine-3-methanol
IUPAC: (4-amino-3-pyridinyl)methanol
영어명: (4-Amino-pyridin-3-yl)-methanol
분자식: C6H8N2O
분자량: 124.14

이름 및 동의어

4-Aminopyridine-3-methanolCHEBI:149772RefChem:978814-AP-3-Me0H(4-aminopyridin-3-yl)methanol138116-34-4(4-Amino-pyridin-3-yl)-methanol3-Pyridinemethanol, 4-amino-4-AMINO-3-PYRIDINEMETHANOLMFCD062030664-Amino-3-hydroxymethylpyridine(4-amino-3-pyridyl)methanol

이름 더 보기

RARECHEM AL BD 13863-AMINO-4-PYRIDINE METHANOL4-AMINO-3-PYRIDINE METHANOL4-Aminopyridine-3-methanol ,97%3-Pyridinemethanol,4-amino-(9CI)(4-AMINO-PYRIDIN-3-YL)-METHANOL ISO 9001：2015 REACH

4-AP-3-MeOHSCHEMBL1930789SCHEMBL2067171SCHEMBL2642427SCHEMBL29964442DTXSID10444916WNBVEYMTVDMSFZ-UHFFFAOYSA-N(4-amino-3-pyridyl)methan-1-ol

데이터베이스 식별자

CAS: 138116-34-4
PubChem CID: 10796739
DTXSID: DTXSID10444916
ChEBI: CHEBI:149772
EC Number: 681-133-7

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 59.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 87.1

물리화학적 성질

녹는점: 167 · 167-169℃
끓는 점: 367.2 · 367.2±27.0 °C(Predicted)
밀도: 1.257 · 1.257±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 13.54 · 13.54±0.10(Predicted)
물리적 상태: 고체
색상: 옅은 갈색
수용성: 물에 약간 용해됩니다.
안정성: 공기에 민감한
InChI: 1S/C6H8N2O/c7-6-1-2-8-3-5(6)4-9/h1-3,9H,4H2,(H2,7,8)
InChIKey: WNBVEYMTVDMSFZ-UHFFFAOYSA-N
SMILES: Nc1ccncc1CO

화학적 성질

White to light yellow powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (16.7%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (16.7%)

안전 데이터

wgk: 3
rtecs: US1750000
ridadr: UN 2811 6.1 / PGII
HS 번호: 29333990
risk_code: 28-36/37/38
hazard_code: Xi,T+
safety_code: 26-36/37/39-45-37
위험 등급: 6.1
Hazard Classifications: Acute Tox. 2 OralAcute Tox. 3 DermalAcute Tox. 3 InhalationAquatic Chronic 2Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야

용도4-Amino-3-pyridinemethanol is used as an organic chemical synthesis intermediate.

상·하류 제품 정보

상류 원료

하류 제품

(3-Hydroxymethyl-pyridin-4-yl)-carbamic acid tert-butyl ester

공급사50 곳

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

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

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