2,3-dihydro-1-benzofuran-5-ylmethanamine hydrochloride

• ChemBase编号: 80480
• 分子式: C9H12ClNO
• 平均质量: 185.65068
• 单一同位素质量: 185.06074169
• SMILES: O1c2ccc(cc2CC1)CN.Cl
• Canonical SMILES: NCc1ccc2c(c1)CCO2.Cl
• InChI: InChI=1S/C9H11NO.ClH/c10-6-7-1-2-9-8(5-7)3-4-11-9;/h1-2,5H,3-4,6,10H2;1H
• InChIKey: BYHOTUFEUBWUME-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3-dihydro-1-benzofuran-5-ylmethanamine hydrochloride
• IUPAC传统名: 2,3-dihydro-1-benzofuran-5-ylmethanamine hydrochloride
• 别名: 2,3-dihydrobenzo[b]furan-5-ylmethylamine hydrochloride; 2,3-Dihydrobenzo[b]furan-5-ylmethylamine hydrochloride; 5-(Aminomethyl)-2,3-dihydrobenzo[b]furan hydrochloride 97%; 5-(Aminomethyl)-2,3-dihydrobenzofuran Hydrochloride; 2,3-Dihydro-5-benzofuranmethanamine Hydrochloride

登记号

• CAS号: 635309-62-5; 55745-74-9
• MDL号: MFCD03659695
• PubChem SID: 162067600
• PubChem CID: 18525697

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.0093348
• LogD (pH = 7.4): -1.0920893
• Log P: 0.9812315
• 摩尔折射率: 44.3042 cm^3
• 极化性: 17.24876 Å^3
• 极化表面积: 35.25 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 251-254°C

安全信息

• 保存注意事项: Irritant

产品相关信息

• 纯度: 97%

详细说明

Toronto Research Chemicals - D448450

2,3-Dihydro-5-benzofuranmethanamine is used in the preparation of azatricyclic metalloprotease inhibitors compounds.

参考文献

• Anon, et al.: Med. Chem., 26B, 602 (1987)