(1R)-1-phenylpropan-1-amine

• ChemBase编号: 143306
• 分子式: C9H13N
• 平均质量: 135.20622
• 单一同位素质量: 135.10479942
• SMILES: CC[C@H](c1ccccc1)N
• Canonical SMILES: CC[C@H](c1ccccc1)N
• InChI: InChI=1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3/t9-/m1/s1
• InChIKey: AQFLVLHRZFLDDV-SECBINFHSA-N

名称和登记号

名称

• IUPAC标准名: (1R)-1-phenylpropan-1-amine
• IUPAC传统名: (1R)-1-phenylpropan-1-amine
• 别名: (R)-(+)-1-苯基丙胺; (R)-(+)-1-苯丙胺; (R)-(+)-α-乙基苄胺; (R)-α-Ethylbenzenemethanamine; (R)-(+)-α-ethylbenzylamine; d-α-Ethylbenzylamine; (+)-((R)-1-Phenylpropyl)amine; (+)-1-Ethylbenzylamine; (+)-1-Phenylpropylamine; (+)-α-Phenylpropylamine; (1R)-1-Phenylpropan-1-amine; (1R)-1-Phenylpropylamine; (R)-(+)-1-Phenyl-1-propylamine; (R)-(+)-α-Phenyl-1-propylamine; (R)-α-Ethylbenzylamine; (R)-1-Phenylpropanamine; (R)-α-Phenylpropylamine(R)-1-Phenylpropylamine; (R)-1-Phenyl-1-propanamine; (R)-(+)-α-Ethylbenzylamine; (R)-(+)-1-Amino-1-phenylpropane; (R)-(+)-alpha-Ethylbenzylamine; (R)-(+)-1-Phenylpropylamine; (R)-(+)-1-Phenylpropylamine; (R)-(+)-α-Ethylbenzylamine

登记号

• CAS号: 3082-64-2
• MDL号: MFCD00083057
• Beilstein号: 3029904
• PubChem SID: 24873354; 162237527; 24884166
• PubChem CID: 5324978

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.9707711
• LogD (pH = 7.4): -0.2515309
• Log P: 2.0381117
• 摩尔折射率: 43.4742 cm^3
• 极化性: 17.443645 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: Clear Colourless Oil
• 熔点: -69°C
• 沸点: 205°C
• 闪点: 170.6 °F; 77 °C; 77°C(170°F)
• 密度: 0.930; 0.940 g/mL at 20 °C(lit.)
• 折射率: 1.5200; n20/D 1.520
• 比旋光度: [α]/D +20±2°, neat; +20 (neat)

安全信息

• 保存条件: Refrigerator
• 保存注意事项: Air Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 环境危害性(Nature polluting) (N); X
• 联合国危险货物编号: 2735; UN2735
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 22-34; 22-34-51/53
• 安全公开号: 26-36/37/39-45; 26-36/37/39-45-61
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS07; GHS09
• GHS警示词: Danger
• GHS危险声明: H302-H314; H314-H318-H302-H227-H401-H411
• GHS警示性声明: P280-P273-P305+P351+P338-P309-P310; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 2

产品相关信息

• 纯度: ≥95.0% (GC); ≥99.0%; ≥99.0% (GC); ChiPros 99+%, ee 98%
• 级别: produced by BASF; purum
• 光学纯度: enantiomeric excess: ≥98.0%; enantiomeric ratio: ≥99.0:1.0 (GC)
• Empirical Formula (Hill Notation): C9H13N

详细说明

Sigma Aldrich - 726605

包装
5, 25 g in glass bottle
法律信息
ChiPros is a registered trademark of BASF SE

Toronto Research Chemicals - E899970

A chiral phenylalkylamine derivative used in metabolic Cytochrome P-455 nm complex formation studies.

参考文献

• Joensson, K.H. et al.: Chirality, 4, 469 (1992)