Tert-butyl 3-((6-aminopyridin-3-yl)oxy)azetidine-1-carboxylate

HCID 58043889

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1346674-72-3
標準SMILES: CC(C)(C)OC(=O)N1CC(Oc2ccc(N)nc2)C1
InChIKey: SADBSMVGYYAUPO-UHFFFAOYSA-N
分子式: C13H19N3O3
平均分子量: 265.31 g/mol

名称と識別子

優先名称: Tert-butyl 3-((6-aminopyridin-3-yl)oxy)azetidine-1-carboxylate
IUPAC: tert-butyl 3-[(6-amino-3-pyridinyl)oxy]azetidine-1-carboxylate

名称と別名

1346674-72-3Tert-butyl 3-((6-aminopyridin-3-yl)oxy)azetidine-1-carboxylatetert-butyl 3-[(6-aminopyridin-3-yl)oxy]azetidine-1-carboxylateRefChem:892765968-396-6tert-Butyl 3-(6-Aminopyridin-3-yloxy)azetidine-1-carboxylateSCHEMBL10256388SCHEMBL31330098SADBSMVGYYAUPO-UHFFFAOYSA-NDB-299105A1-026783-(6-Amino-pyridin-3-yloxy)-azetidine-1-carboxylic acid tert-butyl ester

データベース識別子

CAS: 1346674-72-3
PubChem CID: 58043889
EC Number: 968-396-6

物性

構造計算による物性

XLogP: 1.2
極性表面積: 77.7 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 19
形式電荷: 0
複雑度: 324

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, 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.