7-クロロ-1,8-ナフチリジン-2-アミン

7-Chloro-1,8-naphthyridin-2-amine

HCID 85199CAS 15944-33-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ccc2ccc(Cl)nc2n1
InChIKey: HRXBYPUUCBEZAS-UHFFFAOYSA-N
分子式: C8H6ClN3
平均分子量: 179.6 g/mol
単同位体質量: 179.0250249

名称と識別子

優先名称: 7-Chloro-1,8-naphthyridin-2-amine
IUPAC: 7-chloro-1,8-naphthyridin-2-amine
現地名: 7-クロロ-1,8-ナフチリジン-2-アミン
英語名: 7-chloro-1,8-naphthyridin-2-amine
分子式: C8H6ClN3
分子量: 179.61

名称と別名

7-Chloro-1,8-naphthyridin-2-amine15944-33-92-Amino-7-chloro-1,8-naphthyridineEINECS 240-078-5DTXSID10166661RefChem:546011DTXCID9089152240-078-5MFCD118785741,8-Naphthyridin-2-amine, 7-chloro-SCHEMBL64123432-amino-7chloro-1,8-naphthyridine

名称をさらに表示

7-クロロ-1,8-ナフチリジン-2-アミン2-アミノ-7-クロロ-1,8-ナフチリジン2-amino-7-chloro-1, 8-naphthidine1,8-Naphthyridin-2-amine,7-chloro-2-chloro-7-amino-1,8-naphthyridine

QAA944332-amino-7-chloro-1,8-napthyridine2-chloro-7-amino-1,8-napthyridineAKOS006343105DA-35743PS-11579SY128196CS-0215919

データベース識別子

CAS: 15944-33-9
PubChem CID: 85199
DTXSID: DTXSID10166661
EC Number: 240-078-5
Nikkaji: J219.907F

物性

構造計算による物性

XLogP: 2.1
極性表面積: 51.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 164

物理化学的性質

融点: 179 · 179-182 °C(Solv: acetone (67-64-1))
沸点: 351.2 · 351.2±37.0 °C(Predicted)
比重(密度): 1.445 · 1.445±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
外見: powder
酸解離定数(Pka): 4.21 · 4.21±0.30(Predicted)
色: Yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 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.