N,N-dimethyl-9,11-dioxa-10-phosphapentacyclo[10.6.1.11,4.016,19.08,20]icosa-4(20),5,7,12,14,16(19)-hexaen-10-amine

• ChemBase编号: 141813
• 分子式: C19H20NO2P
• 平均质量: 325.341361
• 单一同位素质量: 325.12316552
• SMILES: CN(C)P1Oc2cccc3c2C2(CC3)CCc3c2c(ccc3)O1
• Canonical SMILES: CN(P1Oc2cccc3c2C2(c4c(O1)cccc4CC2)CC3)C
• InChI: InChI=1S/C19H20NO2P/c1-20(2)23-21-15-7-3-5-13-9-11-19(17(13)15)12-10-14-6-4-8-16(22-23)18(14)19/h3-8H,9-12H2,1-2H3
• InChIKey: RIDZEECIONITMW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-9,11-dioxa-10-phosphapentacyclo[10.6.1.1^1,^4.0^1^6,^1^9.0^8,^2^0]icosa-4(20),5,7,12,14,16(19)-hexaen-10-amine
• IUPAC传统名: N,N-dimethyl-9,11-dioxa-10-phosphapentacyclo[10.6.1.1^1,^4.0^1^6,^1^9.0^8,^2^0]icosa-4(20),5,7,12,14,16(19)-hexaen-10-amine
• 别名: (11aR)-(+)-10,11,12,13-四氢二茚并[7,1-de:1′,7′-fg][1,3,2]二氧磷杂八环-5-二甲胺; N-二甲基-[(R)-1,1′-螺二氢茚-7,7′-二基]亚磷酰胺; (11aS)-(-)-10,11,12,13-四氢二茚并[7,1-de:1′,7′-fg][1,3,2]二氧磷杂八环-5-二甲胺; N-二甲基-[(S)-1,1′-螺二氢茚-7,7′-二基]亚磷酰胺; (11aR)-(+)-10,11,12,13-Tetrahydrodiindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-dimethylamine; N-Dimethyl-[(R)-1,1′-spirobiindane-7,7′-diyl]phosphoramidite; (R)-SIPHOS; (11aS)-(-)-10,11,12,13-Tetrahydrodiindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-dimethylamine; N-Dimethyl-[(S)-1,1′-spirobiindane-7,7′-diyl]phosphoramidite; (S)-SIPHOS

登记号

• CAS号: 443965-14-8
• MDL号: MFCD08459340
• PubChem SID: 162236047
• PubChem CID: 11438749

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.8209896
• LogD (pH = 7.4): 4.5640316
• Log P: 4.59
• 摩尔折射率: 104.0537 cm^3
• 极化性: 35.97807 Å^3
• 极化表面积: 21.7 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 92-96 °C
• 比旋光度: [α]22/D +480°, c = 1 in chloroform; [α]22/D -487°, c = 1 in chloroform

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C19H20NO2P

详细说明

Sigma Aldrich - 700797

包装
250 mg in glass bottle

Sigma Aldrich - 700789

包装
50, 250 mg in glass bottle