テトラヒドロ-2H-ピラン-3-アミン

Oxan-3-amine

HCID 5200320

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 120811-32-7
標準SMILES: NC1CCCOC1
InChIKey: WUUOEJJGRCQGBQ-UHFFFAOYSA-N
分子式: C5H11NO
平均分子量: 101.15 g/mol
単同位体質量: 101.08406397

名称と識別子

優先名称: Oxan-3-amine
IUPAC: oxan-3-amine
現地名: テトラヒドロ-2H-ピラン-3-アミン
英語名: 2H-Pyran-3-amine, tetrahydro-
分子式: C5H11NO
分子量: 101.15

名称と別名

oxan-3-amineRefChem:857047675-842-0tetrahydro-2H-pyran-3-amine120811-32-7Tetrahydro-pyran-3-ylamineTetrahydropyran-3-ylamine2H-PYRAN-3-AMINE, TETRAHYDRO-tetrahydropyran-3-amineMFCD07371531Tetrahydro-2H-pyran-3-amine HClALBB-005268

名称をさらに表示

テトラヒドロ-2H-ピラン-3-アミンCBI-BB ZERO/0048092H-PYRAN-3-AE,TETRAHYDRO-Tetrahydro-2H-pyran-3-amine hydrochloridetetrahydro-2H-pyran-3-amine(SALTDATA: HCl)

3-aminotetrahydropyran2H-3,4,5,6-tetrahydropyran-3-ylamine3-Aminotetrahydropyran HCl2H-Pyran-3-amine,tetrahydro-(S)-3-Aminotetrahydropyran3-Amino-1H-tetrahydropyrantetrahydro-pyran-3-yl amineSCHEMBL57654

データベース識別子

CAS: 120811-32-7
PubChem CID: 5200320
DTXSID: DTXSID70409440
EC Number: 675-842-0

物性

構造計算による物性

XLogP: -0.3
極性表面積: 35.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 56

物理化学的性質

沸点: 151.4 · 151.4±33.0 °C(Predicted)
比重(密度): 0.962 · 0.962±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
外見: liquid
酸解離定数(Pka): 9.97 · 9.97±0.20(Predicted)
色: Yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.