({8-tert-butyl-1,4-dioxaspiro[4.5]decan-2-yl}methyl)(ethyl)propylamine

• ChemBase编号: 90347
• 分子式: C18H35NO2
• 平均质量: 297.476
• 单一同位素质量: 297.26677937
• SMILES: O1C2(OCC1CN(CCC)CC)CCC(C(C)(C)C)CC2
• Canonical SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
• InChI: InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3
• InChIKey: PUYXTUJWRLOUCW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ({8-tert-butyl-1,4-dioxaspiro[4.5]decan-2-yl}methyl)(ethyl)propylamine
• IUPAC传统名: spiroxamine; impulse
• 别名: N-乙基-N-丙基-8-叔丁基-1,4-二氧杂螺环[4.5]癸-2-基甲胺; 螺噁茂胺; Spiroxamine; N-Ethyl-N-propyl-8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-ylmethylamine; N-Ethyl-N-propyl-8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-ylmethylamine; Spiroxamine; 8-(1,1-Dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro[4.5]decane-2-methanamine; Impulse; KWG 4168; Prosper; Prosper Hoggar; Spiroketalamine; Spiroxamine

登记号

• CAS号: 118134-30-8
• MDL号: MFCD03095708
• PubChem SID: 24870179; 162077164
• PubChem CID: 86160

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.0434662
• LogD (pH = 7.4): 2.4466891
• Log P: 4.3815384
• 摩尔折射率: 88.3808 cm^3
• 极化性: 35.34121 Å^3
• 极化表面积: 21.7 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: 147 °C; 296.6 °F

安全信息

• 保存注意事项: Harmful
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 3082
• 德国WGK号: 3
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 20/21/22-38-43-50/53
• 安全公开号: 36/37/39-46-60-61
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H302-H312-H315-H317-H332-H410
• GHS警示性声明: P273-P280-P501
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

产品相关信息

• 级别: PESTANAL®, analytical standard
• 简要说明: mixture of diastereomers
• Empirical Formula (Hill Notation): C18H35NO2

详细说明

Sigma Aldrich - 46443

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - S683500

Spiroxamine is a spiroketalamine fungicide for use on cereal crops. Spiroxamine inhibits ergosterol synthesis. Spiroxamine is used as agricultural fungicide.

参考文献

• Wang, J., et al.: J. Agric. Food Chem., 53, 1857 (2005)
• Abrahim, A., et al.: J. Pharm. Biomed. Anal., 51, 131 (2005)
• Wang, J., et al.: Anal. Bioanal. Chem., 396, 1513 (2005)