(2S)-2-phenylpropan-1-amine

• ChemBase编号: 87609
• 分子式: C9H13N
• 平均质量: 135.20622
• 单一同位素质量: 135.10479942
• SMILES: NC[C@H](c1ccccc1)C
• Canonical SMILES: NC[C@H](c1ccccc1)C
• InChI: InChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m1/s1
• InChIKey: AXORVIZLPOGIRG-MRVPVSSYSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-phenylpropan-1-amine
• IUPAC传统名: (2S)-2-phenylpropan-1-amine
• 别名: (S)-2-苯基-1-丙胺; (S)-β-甲基苯乙胺; (2R)-2-Phenylpropan-1-amine; (R)-(+)-beta-Methylphenethylamine 99%; (S)-2-Phenyl-1-propylamine; (S)-β-Methylphenethylamine; (S)-2-Phenylpropan-1-amine

登记号

• CAS号: 17596-79-1; 28163-64-6
• MDL号: MFCD00216740; MFCD00216741
• Beilstein号: 3195645
• PubChem SID: 162074649; 24869850
• PubChem CID: 1547950

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.257922
• LogD (pH = 7.4): -0.56309605
• Log P: 1.7526482
• 摩尔折射率: 43.758 cm^3
• 极化性: 17.363905 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

• 熔点: 207 °C(lit.)
• 沸点: 197°C
• 闪点: 177.8 °F; 81 °C; 81°C
• 密度: 0.945; 0.945 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.525; n20/D 1.525(lit.)
• 比旋光度: [α]20/D -35±2°, c = 1% in ethanol; [α]22/D -35°, c = 1 in ethanol

安全信息

• 保存注意事项: Corrosive/Harmful/Store under Argon
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2735
• 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): 3
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314
• GHS警示性声明: 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 3

产品相关信息

• 纯度: ≥99.0% (sum of enantiomers, GC); 95+%; 99%
• 级别: puriss.
• 线性分子式: C6H5CH(CH3)CH2NH2

详细说明

Sigma Aldrich - 461393

Application
用于对映选择性合成吡齐诺抑制素（一种焦谷氨酰肽酶抑制剂）的结构单元。1
General description
Bacteriorhodopsin is the prototypical "seven-helix" transmembrane protein (with seven α-helical domains), whose study led to advances in understanding G protein-coupled receptors (GPCRs).2 In Halobacteria, it acts as a light-harvesting protein, producing a proton gradient across the cell wall that is then used to drive biosynthetic processes.3
包装
1 g in glass bottle

Sigma Aldrich - 79007

General description
Bacteriorhodopsin is the prototypical "seven-helix" transmembrane protein (with seven α-helical domains), whose study led to advances in understanding G protein-coupled receptors (GPCRs).1 In Halobacteria, it acts as a light-harvesting protein, producing a proton gradient across the cell wall that is then used to drive biosynthetic processes.2