2-chloro-N-methylquinazolin-4-amine

HCID 318057

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基本情報

CAS: 83260-68-8
標準SMILES: CNc1nc(Cl)nc2ccccc12
InChIKey: WOQPXJFIZBEYCQ-UHFFFAOYSA-N
分子式: C9H8ClN3
平均分子量: 193.63 g/mol
単同位体質量: 193.040675

名称と識別子

優先名称: 2-chloro-N-methylquinazolin-4-amine
IUPAC: 2-chloro-N-methylquinazolin-4-amine
英語名: 2-chloro-N-methylquinazolin-4-amine
分子式: C9H8ClN3
分子量: 193.63

名称と別名

2-chloro-N-methylquinazolin-4-amine83260-68-8DTXSID10312303RefChem:259440DTXCID10263427823-733-5MFCD097268654-Quinazolinamine, 2-chloro-N-methyl-NSC252086SCHEMBL1622223NSC-252086NS-01869

名称をさらに表示

(2-Chloro-quinazolin-4-yl)-methyl-amine2-chloro-N-methylquinazolin-4-amine - [C87500]

2-CHLORO-N-METHYL-4-QUINAZOLINAMINECS-0235680EN300-159993(2-chloro-quinazolin-4-yl)WOQPXJFIZBEYCQ-UHFFFAOYSA-NIDA26068SBB018939(2-chloroquinazolin-4-yl)methylamine

データベース識別子

CAS: 83260-68-8
PubChem CID: 318057
DTXSID: DTXSID10312303
EC Number: 823-733-5

物性

構造計算による物性

XLogP: 3
極性表面積: 37.8 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: 1
重原子数: 13
形式電荷: 0
複雑度: 176

物理化学的性質

融点: 213 °C · 213 °C
沸点: 306.3 · 306.3±30.0 °C(Predicted)
比重(密度): 1.369 · 1.369±0.06 g/cm3(Predicted)
酸解離定数(Pka): 4.44 · 4.44±0.30(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.