3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

HCID 53398059CAS 947249-19-6

基本情報

標準SMILES: COc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N
InChIKey: OXNSEGHJPTXNPF-UHFFFAOYSA-N
分子式: C12H19BN2O3
平均分子量: 250.1 g/mol
単同位体質量: 250.14887287

名称と識別子

優先名称: 3-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
IUPAC: 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
英語名: 2-Pyridinamine, 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
分子式: C12H19BN2O3
分子量: 250.1

名称と別名

947249-19-63-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amineDTXSID40694407RefChem:280425DTXCID406451566-Amino-5-methoxypyridine-3-boronic acid pinacol esterMFCD119772482-Pyridinamine, 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL67014OXNSEGHJPTXNPF-UHFFFAOYSA-NXMB24919AKOS015950123

名称をさらに表示

6-AMino-5-Methoxypyridine-3-boronic acid pinacol ester, 96%3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 2-Pyridinamine3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl)pyridine-2-amine3-Methoxy-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-ylamine

PS-12957SY256232CS-0175562G63900F691678(6-Amino-5-methoxypyridin-3-yl)boronic Acid Pinacol Ester6-Amino-5-methoxypyridine-3-boronic acid pinacol ester, >97%2-amino-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

データベース識別子

CAS: 947249-19-6
PubChem CID: 53398059
DTXSID: DTXSID40694407
EC Number: 980-774-2

物性

構造計算による物性

極性表面積: 66.6 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: 2
重原子数: 18
形式電荷: 0
複雑度: 296

物理化学的性質

融点: 98 · 98-103℃
貯蔵温度: 0 · Store at 0-8 °C

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.