(2R)-2-amino-2-methyl-3-phenylpropanoic acid

• ChemBase编号: 104349
• 分子式: C10H13NO2
• 平均质量: 179.21572
• 单一同位素质量: 179.09462866
• SMILES: CC(N)(Cc1ccccc1)C(=O)O
• Canonical SMILES: OC(=O)C(Cc1ccccc1)(N)C
• InChI: InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)
• InChIKey: HYOWVAAEQCNGLE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-2-amino-2-methyl-3-phenylpropanoic acid; (2S)-2-amino-2-methyl-3-phenylpropanoic acid; 2-amino-2-methyl-3-phenylpropanoic acid
• IUPAC传统名: (2R)-2-amino-2-methyl-3-phenylpropanoic acid; (2S)-2-amino-2-methyl-3-phenylpropanoic acid; 2-amino-2-methyl-3-phenylpropanoic acid
• 别名: (R)-(+)-2-氨基-2-甲基-3-苯基丙酸; α-甲基-D-苯丙氨酸; (S)-(-)-2-氨基-2-甲基-3-苯基丙酸; α-甲基-L-苯丙氨酸; (±)-2-氨基-2-甲基-3-苯基丙酸; α-甲基-DL-苯丙氨酸; α-Me-D-Phe-OH; (R)-(+)-2-Amino-2-methyl-3-phenylpropionic acid; α-Methyl-D-phenylalanine; α-Me-Phe-OH; (S)-(-)-2-Amino-2-methyl-3-phenylpropionic acid; α-Methyl-L-phenylalanine; (±)-2-Amino-2-methyl-3-phenylpropionic acid; α-Methyl-DL-phenylalanine; alpha-Methyl-DL-phenylalanine; α-METHYL-DL-PHENYLALANINE

登记号

• CAS号: 1132-26-9; 23239-35-2; 17350-84-4
• MDL号: MFCD00145244; MFCD00153491; MFCD00010512
• Beilstein号: 4668990; 2803960; 5254151
• PubChem SID: 162091526; 24857247
• PubChem CID: 108055

理论计算性质

• Acid pKa: 2.5040956
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.75212145
• LogD (pH = 7.4): -0.75383484
• Log P: -0.75192994
• 摩尔折射率: 49.8296 cm^3
• 极化性: 19.727808 Å^3
• 极化表面积: 63.32 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

• 熔点: 293-294 °C (dec.)(lit.); 293-294°C (decomposes); 293-294°C dec.; 293-297 °C (dec.)

安全信息

• 保存条件: 0°C
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• 安全公开号: 22-24/25
• TSCA收录: 否
• 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, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥97.0% (HPLC); ≥97.5% (HPLC); ≥98.0% (HPLC); 98%
• 级别: purum
• 光学纯度: ee: ≥98.0% (HPLC)
• 线性分子式: C6H5CH2C(CH3)(NH2)CO2H
• Empirical Formula (Hill Notation): C10H13NO2

详细说明

MP Biomedicals - 02155626

Crystalline

Sigma Aldrich - 690694

包装
100, 500 mg in glass bottle

Sigma Aldrich - 690791

包装
250 mg in glass bottle

Sigma Aldrich - 286656

包装
1 g in glass bottle