CAS 2291-58-9 9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one (HCID 419531)

基本情報

CAS: 2291-58-9
標準SMILES: O=C1CC2CCCC(C1)N2Cc1ccccc1
InChIKey: BVEFCNSLJKPSEA-UHFFFAOYSA-N
分子式: C15H19NO
平均分子量: 229.32 g/mol

名称と識別子

優先名称: 9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one
IUPAC: 9-benzyl-9-azabicyclo[3.3.1]nonan-3-one
英語名: 9-Azabicyclo[3.3.1]nonan-3-one, 9-(phenylmethyl)-
分子式: C15H19NO
分子量: 229.32

名称と別名

9-Benzyl-9-azabicyclo[3.3.1]nonan-3-one2291-58-99-BENZYL-9-AZABICYCLO(3.3.1)NONAN-3-ONERefChem:549212660-058-39-Azabicyclo[3.3.1]nonan-3-one, 9-(phenylmethyl)-MFCD001448519-BENZYL-3-OXO-9-AZABICYCLO[3.3.1]NONANE9-Benzyl-9-aza-bicyclo[3.3.1]nonan-3-oneMaybridge3_004114Oprea1_610735SCHEMBL911191

名称をさらに表示

9-Benzyl-3-oxo-9-azabicyc...N-Benzylnorpseudopelletierine9-Benzyl-9-aza-bicyclo3.3.1non-3-one9-(phenylmethyl)-9-azabicyclo[3.3.1]nonan-3-one9-Benzyl-9-az9-Benzyl-9-azabicyclo[3.3.1]nonan-3-oneabicyclo[3.3.1]nonan-3-one

BVEFCNSLJKPSEA-UHFFFAOYSA-NHMS1442K22CCG-45117AKOS006028678AC-2444PB29027SB21699IDI1_015501

データベース識別子

CAS: 2291-58-9
PubChem CID: 419531
EC Number: 660-058-3
Nikkaji: J3.004.316B

物性

構造計算による物性

XLogP: 2.2
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 17
形式電荷: 0
複雑度: 267

物理化学的性質

融点: 72 · 72-75℃
沸点: 165 · 165-169 °C(Press: 0.2 Torr)
比重(密度): 1 · 1+-.0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 8.04 · 8.04±0.20(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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.