Cas no 1599244-41-3 (1-(4-bromo-2-methylphenyl)-N-methylpropan-1-amine)
1599244-41-3 structure
Product Name:1-(4-bromo-2-methylphenyl)-N-methylpropan-1-amine
CAS No:1599244-41-3
MF:C11H16BrN
MW:242.155442237854
CID:2133280
Update Time:2023-11-19
1-(4-bromo-2-methylphenyl)-N-methylpropan-1-amine Chemical and Physical Properties
Names and Identifiers
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- 1-(4-bromo-2-methylphenyl)-N-methylpropan-1-amine
- CID 114979366
- Benzenemethanamine, 4-bromo-α-ethyl-N,2-dimethyl-
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- Inchi： 1S/C11H16BrN/c1-4-11(13-3)10-6-5-9(12)7-8(10)2/h5-7,11,13H,4H2,1-3H3
- InChI Key： PPQADEWCFKPETJ-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C)C=1)C(CC)NC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 149
- Topological Polar Surface Area: 12
Experimental Properties
- Density: 1.227±0.06 g/cm3(Predicted)
- Boiling Point: 289.5±25.0 °C(Predicted)
- pka: 9.56±0.20(Predicted)
1-(4-bromo-2-methylphenyl)-N-methylpropan-1-amine Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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