bis(2-{13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaen-13-yl}ethyl)amine

• ChemBase编号: 140207
• 分子式: C48H41NP2
• 平均质量: 693.793362
• 单一同位素质量: 693.27142358
• SMILES: c1ccc2c(c1)ccc1c2c2c(ccc3c2cccc3)CP(C1)CCNCCP1Cc2ccc3ccccc3c2c2c(ccc3c2cccc3)C1
• Canonical SMILES: N(CCP1Cc2ccc3c(c2c2c(C1)ccc1c2cccc1)cccc3)CCP1Cc2ccc3c(c2c2c(C1)ccc1c2cccc1)cccc3
• InChI: InChI=1S/C48H41NP2/c1-5-13-41-33(9-1)17-21-37-29-50(30-38-22-18-34-10-2-6-14-42(34)46(38)45(37)41)27-25-49-26-28-51-31-39-23-19-35-11-3-7-15-43(35)47(39)48-40(32-51)24-20-36-12-4-8-16-44(36)48/h1-24,49H,25-32H2
• InChIKey: VMLOJVKKOABMEO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(2-{13-phosphapentacyclo[13.8.0.0^2,^1^1.0^3,^8.0^1^8,^2^3]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaen-13-yl}ethyl)amine; (2-{13-phosphapentacyclo[13.8.0.0^2,^1^1.0^3,^8.0^1^8,^2^3]tricosa-1(15),2,4,6,8,10,16,18,20,22-decaen-13-yl}ethyl)(2-{13-phosphapentacyclo[13.8.0.0^2,^1^1.0^3,^8.0^1^8,^2^3]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaen-13-yl}ethyl)amine
• IUPAC传统名: bis(2-{13-phosphapentacyclo[13.8.0.0^2,^1^1.0^3,^8.0^1^8,^2^3]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaen-13-yl}ethyl)amine; (2-{13-phosphapentacyclo[13.8.0.0^2,^1^1.0^3,^8.0^1^8,^2^3]tricosa-1(15),2,4,6,8,10,16,18,20,22-decaen-13-yl}ethyl)(2-{13-phosphapentacyclo[13.8.0.0^2,^1^1.0^3,^8.0^1^8,^2^3]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaen-13-yl}ethyl)amine
• 别名: 双(R-2-(4,5-二氢-3H-联萘并[1,2-c;2',1'-e]-磷杂庚英并)乙基)胺; 2,2′-双[(R-1,1′-联萘-2,2′-二甲基)膦基]二乙胺; 双(S-2-(4,5-二氢-3H-联萘并[1,2-c;2′,1′-e]-磷杂庚英并)乙基)胺; 2,2′-双[(S-1,1′-联萘-2,2′-二甲基)膦基]二乙胺; Bis(2-[(11bS)-3H-binaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl]ethyl)amine; Bis(2-[(11bR)-3H-binaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl]ethyl)amine; Bis(R-2-(4,5-dihydro-3H-binaphtho[1,2-c;2’,1’-e]-phosphepino)ethyl)amine; 2,2′-Bis[(R-1,1′-binaphthyl-2,2′-dimethyl)phosphino]diethylamine; Bis(S-2-(4,5-dihydro-3H-binaphtho[1,2-c;2′,1′-e]-phosphepino)ethyl)amine; 2,2′-Bis[(S-1,1′-binaphthyl-2,2′-dimethyl)phosphino]diethylamine

登记号

• CAS号: 791630-00-7; 851870-89-8
• MDL号: MFCD09750438
• PubChem SID: 24884706; 24884705; 162234451
• PubChem CID: 11216155

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 6.465722
• LogD (pH = 7.4): 7.9182425
• Log P: 11.0161
• 摩尔折射率: 227.081 cm^3
• 极化性: 92.93342 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 230-236 °C
• 比旋光度: [α]22/D -62°, c = 1 in chloroform

安全信息

• 保存注意事项: Air Sensitive
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26; 26-36; 26-37-60
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 97%; 97+%
• Empirical Formula (Hill Notation): C48H41NP2

详细说明

Sigma Aldrich - 665010

包装
250 mg in glass bottle
Legal Information
经 Kanata Chemical Technologies Inc. 许可销售，仅限于研究目的。

Sigma Aldrich - 665002

包装
250 mg in glass bottle
Legal Information
经 Kanata Chemical Technologies Inc. 许可销售，仅限于研究目的。