(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride

• ChemBase编号: 145958
• 分子式: C10H16ClNO
• 平均质量: 201.69314
• 单一同位素质量: 201.09204182
• SMILES: C[C@H]([C@H](c1ccccc1)O)NC.Cl
• Canonical SMILES: CN[C@@H]([C@H](c1ccccc1)O)C.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10-;/m1./s1
• InChIKey: BALXUFOVQVENIU-GHXDPTCOSA-N

名称和登记号

名称

• IUPAC标准名: (1S,2R)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride
• IUPAC传统名: (1S,2R)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride
• 别名: (1S,2R)-(+)-α-(1-甲基氨基乙基)苄醇 盐酸盐; (1S,2R)-(+)-2-甲氨基-1-苯丙醇 盐酸盐; 盐酸右旋麻黄素 盐酸盐; (1S,2R)-(+)-麻黄碱 盐酸盐; (1S,2R)-2-甲氨基-1-苯丙醇 盐酸盐; (+)-麻黄碱 盐酸盐; 盐酸麻黄碱; (1R,2S)-()-麻黄碱 盐酸盐; 麻黄碱 盐酸盐; (1R,2S)-α-[1-(甲氨基)乙基]苄醇 盐酸盐; (1R,2S)-(-)-2-甲氨基-1-苯丙醇 盐酸盐; (1R,2S)-(?)-麻黄碱 盐酸盐; 左旋盐酸麻黄碱; (1S,2R)-(+)-α-(1-Methylaminoethyl)benzyl alcohol hydrochloride; (1S,2R)-(+)-2-Methylamino-1-phenyl-1-propanol hydrochloride; D-α-(1-Methylaminoethyl)benzyl alcohol hydrochloride; (1S,2R)-(+)-Ephedrine hydrochloride; (1S,2R)-2-Methylamino-1-phenyl-1-propanol hydrochloride; (+)-Ephedrine hydrochloride; (αS)-rel-α-[(1R)-1-(Methylamino)ethyl]benzenemethanol Hydrochloride; dl-α-[1-(Methylamino)ethyl]benzyl Alcohol Hydrochloride; (+/-)-2-Ephedrinium Hydrochloride; (+/-)-Ephedrine Hydrochloride; rac-Ephedrine Hydrochloride; Ephedrini hydrochloridum; Ephedrine hydrochloride; (1R,2S)-α-[1-(Methylamino)ethyl]benzyl alcohol hydrochloride; (1R,2S)-(-)-2-Methylamino-1-phenyl-1-propanol hydrochloride; (1R,2S)-(-)-Ephedrine hydrochloride; (1R,2S)-(-)-Ephedrine hydrochloride

登记号

• CAS号: 134-71-4; 24221-86-1; 50-98-6
• EC号: 200-074-6; 205-153-9; 246-090-7
• MDL号: MFCD00064551; MFCD00012626
• Beilstein号: 6118541; 3630391
• PubChem SID: 24888574; 162240158; 24889458; 24868730; 24857224; 24888441
• PubChem CID: 71290

理论计算性质

• Acid pKa: 13.889531
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -1.8580045
• LogD (pH = 7.4): -0.7786886
• Log P: 1.3178347
• 摩尔折射率: 49.6873 cm^3
• 极化性: 19.85273 Å^3
• 极化表面积: 32.26 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Methanol; Water
• 外观: White Solid
• 熔点: 188-190 °C; 189-191°C; 216-219 °C; 216-220 °C(lit.); 217-221 °C; 218-220 °C(lit.)
• 比旋光度: [α]20/D +34±1°, c = 11.5% in H2O; [α]20/D -34±1°, c = 11.5% in H2O; [α]20/D -34°, c = 4 in H2O; [α]23/D +34.3°, c = 5 in H2O

安全信息

• 保存条件: -20°C Freezer
• RTECS编号: KB1750000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 1; 3
• 危险公开号: 22
• 安全公开号: 22-25
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

产品相关信息

• 纯度: ≥99.0% (AT); 99%
• 级别: Ph Eur; purum
• 药典: testing & handling conforms to Pharmacopeia
• 线性分子式: C6H5CH(OH)CH(CH3)NHCH3 · HCl; C6H5CH[CH(NHCH3)CH3]OH · HCl
• Empirical Formula (Hill Notation): C10H15NO · HCl

详细说明

Sigma Aldrich - 862231

包装
5, 25, 100 g in glass bottle

Sigma Aldrich - 857335

包装
1, 25 g in glass bottle

Sigma Aldrich - 285749

包装
5, 25 g in glass bottle

Sigma Aldrich - 45285

Other Notes
可能实行销售限制

Sigma Aldrich - 45280

Other Notes
可能实行销售限制

Toronto Research Chemicals - E575000

α- and β-Adrenergic agonist. Bronchodilator.

参考文献

• Duddu, S., et al.: Pharm. Res., 11, 1549 (1994)
• Li, Z., et al.: J. Pharm. Sci., 88, 337 (1994)