(1R,2R)-2-amino-1-phenylpropan-1-ol

• ChemBase编号: 127999
• 分子式: C9H13NO
• 平均质量: 151.20562
• 单一同位素质量: 151.09971404
• SMILES: O[C@H](c1ccccc1)[C@H](N)C
• Canonical SMILES: O[C@H](c1ccccc1)[C@H](N)C
• InChI: InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m1/s1
• InChIKey: DLNKOYKMWOXYQA-APPZFPTMSA-N

名称和登记号

名称

• IUPAC标准名: (1R,2R)-2-amino-1-phenylpropan-1-ol
• IUPAC传统名: (1R,2R)-2-amino-1-phenylpropan-1-ol
• 别名: (-)-去甲伪麻黄碱; (1R,2R)-2-氨基-1-苯基-1-丙醇; (R,R)-α-(1-氨乙基)苯甲醇; L-(-)-去甲伪麻黄碱; (1R,2R)-(-)-去甲伪麻黄碱; (R,R)-(-)-Norpseudoephedrine; (-)-Norpseudoephedrine; L-Norpseudoephedrine; l-Pseudonorephedrine; (-)-Pseudo Norephedrine; [R-(R*,R*)]-α-(1-aminoethyl)benzenemethanol; (1R,2R)-Norpseudoephedrine; (-)-threo-2-Amino-2-methyl-1-phenylethanol; (αS)-α-[(1S)-1-Aminoethyl]benzenemethanol; (1S,2S)-(+)-Norpseudoephedrine; (1S,2S)-Pseudonorephedrine; (1S,2S)-threo-Norephedrine; Cathine; D-(+)-Norpseudoephedrine; Fugoa-Depot; Katine; (+)-Pseudo Norephedrine; L-Norpseudoephedrine; (-)-Pseudonorephedrine; (1R,2R)-2-Amino-1-phenyl-1-propanol; (R,R)-α-(1-Aminoethyl)benzenemethanol; L-(-)-Norpseudoephedrine; (1R,2R)-(-)-Norpseudoephedrine

登记号

• CAS号: 492-39-7; 37577-07-4; 53643-20-2
• MDL号: MFCD01711267
• PubChem SID: 162222315
• PubChem CID: 162265
• Chemspider ID: 142493
• 维基百科标题: L-Norpseudoephedrine

理论计算性质

• Acid pKa: 13.896164
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -2.0889428
• LogD (pH = 7.4): -1.0537072
• Log P: 0.8852543
• 摩尔折射率: 44.9127 cm^3
• 极化性: 18.00672 Å^3
• 极化表面积: 46.25 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; Methanol
• 外观: White to Off-White Solid
• 熔点: 69-72°C
• 比旋光度: [α]/D -34.0±2.0°, c = 3.5 in ethanol

安全信息

• 保存条件: Refrigerator
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 22-36
• 安全公开号: 26
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H318
• GHS警示性声明: P280-P301 + P310-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3
• 毒品管制信息: regulated under CDSA - not available from Sigma-Aldrich Canada
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (NT)
• Empirical Formula (Hill Notation): C9H13NO

详细说明

Sigma Aldrich - 670561

包装
500 mg in glass bottle

Toronto Research Chemicals - P839580

An epimer of phenylpropanolamine and a metabolite of cathinone.

Toronto Research Chemicals - P839585

An enatiomer of (+)-Pseudonorephedrine (P839585). (-)-Pseudonorephedrine is metabolite of Cathinone (C225700) and possesses amphetamine-like stimulus properties. Studies show that (-)-Pseudonorephedrine enhances the analgesic and rate decreasing effects o

参考文献

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• Mathys, K. et al.: J. Chrom., 593, 79 (1998)