(1,2,3,4,4a,5,6,7,8,8a-13C10)naphthalen-2-ol

• ChemBase编号: 174970
• 分子式: C10H8O
• 平均质量: 154.09646838
• 单一同位素质量: 154.09106326
• SMILES: [13c]1([13cH][13cH][13c]2[13c]([13cH]1)[13cH][13cH][13cH][13cH]2)O
• Canonical SMILES: O[13c]1[13cH][13cH][13c]2[13c]([13cH]1)[13cH][13cH][13cH][13cH]2
• InChI: InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1
• InChIKey: JWAZRIHNYRIHIV-IIYFYTTLSA-N

名称和登记号

名称

• IUPAC标准名: (1,2,3,4,4a,5,6,7,8,8a-^1^3C₁₀)naphthalen-2-ol
• IUPAC传统名: (1,2,3,4,4a,5,6,7,8,8a-^1^3C₁₀)naphthalen-2-ol
• 别名: 2-Naphthalenol-13C10; 2-Hydroxynaphthalene-13C10; Azogen Developer A-13C10; Betanaphthol-13C10; C.I. 37500-13C10; C.I. Developer 5-13C10; Developer A-13C10; Developer AMS-13C10; Developer BN-13C10; Developer NA-13C10; Isonaphthol-13C10; NSC 2044-13C10; NSC 5737-13C10; Naphthol B-13C10; β-Hydroxynaphthalene-13C10; β-Naphthol-13C10; β-Naphthyl Alcohol-13C10; 2-Naphthol-13C10

登记号

• PubChem SID: 164230880
• PubChem CID: 71750931

理论计算性质

• Acid pKa: 9.783224
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.6591349
• LogD (pH = 7.4): 2.6573746
• Log P: 2.6591573
• 摩尔折射率: 44.4891 cm^3
• 极化性: 18.545378 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - N368017

Labelled 2-Naphthol (N368015). Has been used as antiseptic, anthelmintic and counter-irritant in alopecia.

参考文献

• Diggle, S., et al.: Chem. Biol., 13, 701 (2006)
• Tashiro, Y., et al.: J. Bacteriol.,190, 3969 (2006)