methyl(oxan-4-ylmethyl)amine

• ChemBase编号: 63873
• 分子式: C7H15NO
• 平均质量: 129.2001
• 单一同位素质量: 129.11536411
• SMILES: N(C)CC1CCOCC1
• Canonical SMILES: CNCC1CCOCC1
• InChI: InChI=1S/C7H15NO/c1-8-6-7-2-4-9-5-3-7/h7-8H,2-6H2,1H3
• InChIKey: WMBCUXKYKVTJRF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl(oxan-4-ylmethyl)amine; methyl[(oxan-4-yl)methyl]amine
• IUPAC传统名: methyl(oxan-4-ylmethyl)amine
• 别名: methyl(oxan-4-ylmethyl)amine; N-methyl-1-(tetrahydro-2H-pyran-4-yl)methanamine; N-Methyl-1-(tetrahydro-2H-pyran-4-yl)methylamine; 4-[(Methylamino)methyl]tetrahydro-2H-pyran; N-methyl-(tetrahydropyran-4-ylmethyl)amine; N-Methyl(tetrahydro-2H-pyran-4-yl)methanamine; METHYL-(TETRAHYDRO-PYRAN-4-YLMETHYL)-AMINE

登记号

• CAS号: 439081-52-4
• MDL号: MFCD06739009
• PubChem SID: 162029612
• PubChem CID: 22225668

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.007907
• LogD (pH = 7.4): -2.7214286
• Log P: 0.22890837
• 摩尔折射率: 37.9869 cm^3
• 极化性: 15.112169 Å^3
• 极化表面积: 21.26 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

• 疏水性(logP): -0.267

安全信息

• 保存注意事项: Corrosive; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: >95%; 95%; 97%; 98%