Cas no 103989-86-2 (Dimethyl-(4-chlor-2,3-dimethyl-benzyl)-amin)
103989-86-2 structure
Product Name:Dimethyl-(4-chlor-2,3-dimethyl-benzyl)-amin
CAS No:103989-86-2
MF:C11H16ClN
MW:197.704442024231
CID:2862604
Update Time:2023-08-10
Dimethyl-(4-chlor-2,3-dimethyl-benzyl)-amin Chemical and Physical Properties
Names and Identifiers
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- Dimethyl-(4-chlor-2,3-dimethyl-benzyl)-amin
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- Inchi： 1S/C11H16ClN/c1-8-9(2)11(12)6-5-10(8)7-13(3)4/h5-6H,7H2,1-4H3
- InChI Key： QSRTVIYSTVXZGX-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=C(C)C=1C)CN(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 158
- XLogP3: 3.1
- Topological Polar Surface Area: 3.2
Dimethyl-(4-chlor-2,3-dimethyl-benzyl)-amin Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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