2-(Boc-amino)-4-(hydroxymethyl)pyridine

HCID 23151001CAS 304873-62-9

基本情報

標準SMILES: CC(C)(C)OC(=O)Nc1cc(CO)ccn1
InChIKey: WWIMVFCGNYLUMJ-UHFFFAOYSA-N
分子式: C11H16N2O3
平均分子量: 224.26 g/mol
単同位体質量: 224.11609237

名称と識別子

優先名称: 2-(Boc-amino)-4-(hydroxymethyl)pyridine
IUPAC: tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate
英語名: 2-Boc-amino-4-hydroxymethylpyridine
分子式: C11H16N2O3
分子量: 224.26

名称と別名

2-(Boc-amino)-4-(hydroxymethyl)pyridineRefChem:459884890-467-4304873-62-9tert-butyl (4-(hydroxymethyl)pyridin-2-yl)carbamatetert-butyl N-[4-(hydroxymethyl)pyridin-2-yl]carbamateMFCD087046062-Boc-amino-4-hydroxymethylpyridineCarbamic acid, N-[4-(hydroxymethyl)-2-pyridinyl]-, 1,1-dimethylethyl estertert-butyl [4-(hydroxymethyl)pyridin-2-yl]carbamateTERT-BUTYL 4-(HYDROXYMETHYL)PYRIDIN-2-YLCARBAMATECarbamic acid, [4-(hydroxymethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester

名称をさらに表示

(4-Hydroxymethyl-pyridin-2-yl)-carbamic acid tert-butyl ester[4-(Hydroxymethyl)-2-pyridinyl]carbamic acid 1,1-dimethylethyl ester

SCHEMBL1940483SCHEMBL29575346DTXSID00631035WWIMVFCGNYLUMJ-UHFFFAOYSA-N2-(Boc-amino)-4-pyridinemethanolAKOS015892049SB36487AS-31822

データベース識別子

CAS: 304873-62-9
PubChem CID: 23151001
DTXSID: DTXSID00631035
EC Number: 890-467-4

物性

構造計算による物性

XLogP: 0.9
極性表面積: 71.5 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 238

物理化学的性質

融点: 137 · 137-138 °C
沸点: 333.4 · 333.4±32.0 °C(Predicted)
比重(密度): 1.209 · 1.209±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 12.4 · 12.40±0.70(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.