3-Methyl-4-pyridinamine

HCID 74811

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1990-90-5
표준 SMILES: Cc1cnccc1N
InChIKey: VGJLGPCXUGIXRQ-UHFFFAOYSA-N
분자식: C6H8N2
평균 분자량: 108.14 g/mol
단동위원소 질량: 108.06874826

이름 및 식별자

우선 이름: 3-Methyl-4-pyridinamine
IUPAC: 3-methylpyridin-4-amine
영어명: 3-Methyl-4-aminopyridine
분자식: C6H8N2
분자량: 108.14

이름 및 동의어

1990-90-53-Methyl-4-aminopyridine3-Methyl-4-pyridinamineDTXSID90173676RefChem:94766DTXCID3096167217-872-53-Methylpyridin-4-amine4-Amino-3-methylpyridine4-Amino-3-picoline4-Pyridinamine, 3-methyl-Phillips 1908

이름 더 보기

philips1908Phillips-1908-4-aminopyridine4-amino-3-picolin3-methyl-4-pyridinamin4-Amino-3-picoline HCl

3-Picoline, 4-amino-Philips 1908MFCD017044313-methyl-pyridin-4-ylamine3-methyl-4-pyridinylamine4-Amino-3-methyl pyridine3-methylpyridine-4-amine3-methyl-4 amino pyridine

데이터베이스 식별자

CAS: 1990-90-5
PubChem CID: 74811
DTXSID: DTXSID90173676
EC Number: 217-872-5
Nikkaji: J50.529C

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 72

물리화학적 성질

녹는점: 106 · 106-107
끓는 점: 192.78 °C · 192.78°C (rough estimate)
밀도: 0.9581 · 0.9581 (rough estimate)
굴절률: 1.54 · 1.5400 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 1 · pK1: 9.43(+1) (25°C)
색상: (C6H6/석유 에테르)에서 얻은 결정
InChI: InChI=1S/C6H8N2/c1-5-4-8-3-2-6(5)7/h2-4H,1H3,(H2,7,8)
InChIKey: VGJLGPCXUGIXRQ-UHFFFAOYSA-N
SMILES: C1=NC=CC(N)=C1C

화학적 성질

Crystals

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.