(2R)-2-amino-3-methylbutan-1-ol

• ChemBase编号: 69688
• 分子式: C5H13NO
• 平均质量: 103.16282
• 单一同位素质量: 103.09971404
• SMILES: C([C@@H](C(C)C)N)O
• Canonical SMILES: OC[C@@H](C(C)C)N
• InChI: InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m0/s1
• InChIKey: NWYYWIJOWOLJNR-YFKPBYRVSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-2-amino-3-methylbutan-1-ol
• IUPAC传统名: (2R)-2-amino-3-methylbutan-1-ol
• 别名: L-(+)-缬氨醇; D-(-)-缬氨醇; D-缬氨醇; (R)-(-)-2-氨基-3-甲基-1-丁醇; (R)-(-)-2-氨基-3-甲基-1-丁醇; D-缬氨醇; (S)-(+)-2-Amino-3-methyl-1-butanol; H-Val-ol; L-(+)-Valinol; (R)-(-)-2-Amino-3-methyl-1-butanol; H-D-Val-ol; D-(-)-Valinol; (R)-(-)-2-Amino-3-methyl-1-butanol; (R)-(-)-2-Amino-3-methyl-1-butanol; D-Valinol; (R)-(-)-2-Amino-3-methylbutan-1-ol; D-2-Amino-3-methyl-1-butanol; D-VALINOL; (R)-2-Amino-3-methyl-1-butanol; D-Valinol

登记号

• CAS号: 4276-09-9; 2026-48-4
• EC号: 217-975-5
• MDL号: MFCD00064296; MFCD00064297
• Beilstein号: 1719137; 1719138
• PubChem SID: 24857159; 24890043; 162035414
• PubChem CID: 6950587

理论计算性质

• Acid pKa: 15.1198635
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.0263493
• LogD (pH = 7.4): -2.4011502
• Log P: -0.011490631
• 摩尔折射率: 29.6255 cm^3
• 极化性: 12.084012 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

• 熔点: 30-34 °C; 30-34°C; 30-35°C; 35-36 °C(lit.); 35-36°C
• 沸点: 189-190 °C(lit.); 189-190°C; 80-81°C/8mm
• 闪点: 172.4 °F; 78 °C; 78°C(172°F)
• 密度: 0.926; 0.931; 0.931 g/mL at 20 °C(lit.)
• 折射率: 1.4548; 1.4550; n20/D 1.455
• 比旋光度: [α]20/D -10±1°, c = 10% in H2O; [α]20/D -16°, c = 10 in ethanol; +17 (c=10 in ethanol); -11 (c=10 in water)

安全信息

• 保存条件: 2-8°C
• 保存注意事项: Air Sensitive; IRRITANT; Irritant/Store under inert gas
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; 36/38
• 安全公开号: 26-36/37; 26-37
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319; H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥96.0% (sum of enantiomers, GC); 95+%; 97%; 98%
• 级别: purum
• 线性分子式: (CH3)2CHCH(NH2)CH2OH
• Empirical Formula (Hill Notation): C5H13NO

详细说明

MP Biomedicals - 02158276

Crystalline

Sigma Aldrich - 284483

包装
1, 5 g in glass bottle

参考文献

• Chiral auxiliary and building block. See also (4S)-(-)-Isopropyl-2-oxazolidinone, A14029 for derived reagents.