(4-Aminooxan-4-yl)methanol

HCID 18316484

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 720706-20-7
標準SMILES: NC1(CO)CCOCC1
InChIKey: GICNBHGJGXBSBL-UHFFFAOYSA-N
分子式: C6H13NO2
平均分子量: 131.17 g/mol
単同位体質量: 131.09462866

名称と識別子

優先名称: (4-Aminooxan-4-yl)methanol
IUPAC: (4-aminooxan-4-yl)methanol
英語名: (4-Amino-tetrahydro-pyran-4-yl)-methanol
分子式: C6H13NO2
分子量: 131.17

名称と別名

720706-20-7(4-aminooxan-4-yl)methanolDTXSID905927424-AMINOTETRAHYDRO-2H-PYRAN-4-METHANOLRefChem:402401DTXCID80543506819-007-2(4-AMINO-4-TETRAHYDROPYRANYL)METHANOL(4-AMINOTETRAHYDRO-2H-PYRAN-4-YL)METHANOL(4-Amino-tetrahydro-pyran-4-yl)-methanolMFCD041155784-AMINO-4-HYDROXYMETHYL-TETRAHYDRO-2H-PYRAN

名称をさらに表示

4-AMino-4-hydroxyMethyl-t...(4-aminooxan-4-yl)methanol - [A8034]4-AMino-4-hydroxyMethyltetrahydropyran2H-Pyran-4-methanol, 4-aminotetrahydro-

(4-Amino-tetrahydro-2H-pyran-4-yl)methanol(4-aminotetrahydropyran-4-yl)methanol(4-aminotetrahydropyran-4-yl)-methanol(4-amino-tetrahydropyran-4-yl)methanolSCHEMBL13509604-Aminotetrahydropyran-4-methanolGICNBHGJGXBSBL-UHFFFAOYSA-NAKOS005146209

データベース識別子

CAS: 720706-20-7
PubChem CID: 18316484
DTXSID: DTXSID90592742
EC Number: 819-007-2

物性

構造計算による物性

XLogP: -1.2
極性表面積: 55.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 89.1

物理化学的性質

沸点: 231 · 231.0±25.0 °C(Predicted)
比重(密度): 1.074 · 1.074±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 14.85 · 14.85±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.