6-Chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

HCID 65561565

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基本情報

CAS: 840488-85-9
標準SMILES: O=C(NCCC1CC1)c1ccc(Cl)nn1
InChIKey: ZNOCYNRWXAYNOU-UHFFFAOYSA-N
分子式: C10H12ClN3O
平均分子量: 225.67 g/mol
単同位体質量: 225.06688968

名称と識別子

優先名称: 6-Chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
IUPAC: 6-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
英語名: 6-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxaMide
分子式: C10H12ClN3O
分子量: 225.67

名称と別名

840488-85-96-chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamideDTXSID70734901RefChem:308088DTXCID10685645800-824-8MFCD212553806-Chloro-N-(2-cyclopropylethyl)-pyridazine-3-carboxamide3-Pyridazinecarboxamide, 6-chloro-N-(2-cyclopropylethyl)-SCHEMBL937257ZNOCYNRWXAYNOU-UHFFFAOYSA-N6-CHLOROPYRIDAZINE-3-CARBOXYLIC ACID (2-CYCLOPROPYL-ETHYL)AMIDE

名称をさらに表示

AKOS014899767DH-0024DA-02491CS-0330951N-(2-Cyclopropylethyl)-6-chloropyridazine-3-carboxamide6-chloropyridazine-3-carboxylic acid (2-cyclopropylethyl)-amide6-CHLOROPYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE

データベース識別子

CAS: 840488-85-9
PubChem CID: 65561565
DTXSID: DTXSID70734901
EC Number: 800-824-8

物性

構造計算による物性

XLogP: 1.9
極性表面積: 54.9 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: 4
重原子数: 15
形式電荷: 0
複雑度: 233

物理化学的性質

沸点: 466.6 · 466.6±30.0 °C(Predicted)
比重(密度): 1.297 · 1.297±0.06 g/cm3(Predicted)
酸解離定数(Pka): 12.63 · 12.63±0.46(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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