compound introduction
1-[(4-氯苯基)-苯甲基]-4-甲基-1,4-二氮杂环庚烷是二芳基甲烷。
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1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
CAS number：848-53-3 molecular formula：C19H23ClN2
overview
Specs
| Chinese alias | - | ||
| English alias | 1H-1,4-Diazepine,1-(p-chloro-a-phenylbenzyl)hexahydro-4-methyl-(7CI,8CI); (?à)-Homochlorcyclizine; 1-(4-Chlorodiphenylmethyl)-4-methyl-2,3,4,5,6,7-hexahydro-1,4-diazepine; 1-(p-Chloro-a-phenylbenzyl)-4-methylhomopiperazine; 1-(p-Chloro-a-phenylbenzyl)hexa | ||
| CAS number | 848-53-3 | molecular formula | C19H23ClN2 |
| molecular weight | 314.9 | Exact mass | - |
| PSA | 6.5 | logp | 4.2 |
numbering system
| CAS | 848-53-3 |
| UNII | S8XST56UYL |
| HMDB ID | HMDB0240243 |
| KEGG ID | D08041 |
| ChEBI ID | 91588 |
| Wikidata | Q3882289 |
| ChEMBL ID | CHEMBL1515447 |
| Wikipedia | Homochlorcyclizine |
| NSC Number | NSC Number: NSC25132 |
| 废弃 CAS | 142860-95-5 |
| AIDS 编号 | 196319 |
| DrugBank ID | DB15979 |
| DrugCentral | 1381 |
| PubChem CID | 3627 |
| Related CAS | 24342-55-0 (盐酸盐) |
| Nikkaji Number | J7.141B |
| NCI 词表代码 | C81142 |
| DSSTox Substance ID | DTXSID9045635 |
| European Community (EC) Number | 212-699-1 |
| PubChem Reference Collection SID | 505784180 |
| International Nonproprietary Names (INN) | HOMOCHLORCYCLIZINE |
physicochemical properties
| XLogP3 | XLogP3-AA: 4.2 |
| 复杂性 | 321 |
| Exact Mass | 314.1549764 |
| 形式电荷 | 0 |
| 重原子计数 | 22 |
| Molecular Weight | 314.9 |
| Monoisotopic Mass | 314.1549764 |
| 可旋转键计数 | 3 |
| 氢键供体计数 | 0 |
| 氢键受体计数 | 2 |
| Kovats 保留指数 | 标准非极性：2341.1 |
| 共价键单元计数 | 1 |
| 同位素原子计数 | 0 |
| 拓扑极性表面积 | 6.5 Ų |
| 定义键立体中心计数 | 0 |
| 定义原子立体中心计数 | 0 |
| 未定义键立体中心计数 | 0 |
| 未定义原子手性中心计数 | 1 |
Safety information
危害类别和分类：
水生慢性1级（100%）
Production methods and uses
purpose
工业应用参考：
工业分类参考：农副食品加工业。
应用场景参考：常见于生产制造场景，可作为主料、辅料、添加剂或工艺辅助材料参与配方与加工流程 。
作用参考：在健康、安全与公共防护相关场景中，可为消毒、净化、防腐或阻燃方向提供材料支持 。
选型提示：实际选型应结合产品定位、纯度要求、设备精细化程度和现场环境综合判断，不宜仅凭单一指标决定 。
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