SBZ
概要
| 表記: | [4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINE |
| 組成式: | C10 H14 B N2 O3 |
| 電荷: | 1 |
| 化学式量: | 221.041 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | amino{4-[(1,3,2-dioxaborolan-2-yloxy)methyl]phenyl}methaniminium |
| OpenEye OEToolkits | 1.5.0 | [amino-[4-(1,3,2-dioxaborolan-2-yloxymethyl)phenyl]methylidene]azanium |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O(B1OCCO1)Cc2ccc(C(=[NH2+])\N)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])c1ccc(COB2OCCO2)cc1 |
| SMILES | CACTVS | 3.341 | NC(=[NH2+])c1ccc(COB2OCCO2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B1(OCCO1)OCc2ccc(cc2)C(=[NH2+])N |
| SMILES | OpenEye OEToolkits | 1.5.0 | B1(OCCO1)OCc2ccc(cc2)C(=[NH2+])N |
| InChI | InChI | 1.03 | InChI=1S/C10H13BN2O3/c12-10(13)9-3-1-8(2-4-9)7-16-11-14-5-6-15-11/h1-4H,5-7H2,(H3,12,13)/p+1 |
| InChIKey | InChI | 1.03 | XCLFQXCQQHVLJQ-UHFFFAOYSA-O |
