Cas no 77256-79-2 (1,3-Benzenediamine, 2-bromo-4,6-bis(1-methylethyl)-)
77256-79-2 structure
Product Name:1,3-Benzenediamine, 2-bromo-4,6-bis(1-methylethyl)-
CAS No:77256-79-2
MF:C12H19BrN2
MW:271.196662187576
CID:536415
PubChem ID:12702129
Update Time:2025-04-19
1,3-Benzenediamine, 2-bromo-4,6-bis(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediamine, 2-bromo-4,6-bis(1-methylethyl)-
- 2-bromo-4,6-di(propan-2-yl)benzene-1,3-diamine
- 77256-79-2
- DTXSID70507394
-
- Inchi： 1S/C12H19BrN2/c1-6(2)8-5-9(7(3)4)12(15)10(13)11(8)14/h5-7H,14-15H2,1-4H3
- InChI Key： DUNOAHZKEJCTBF-UHFFFAOYSA-N
- SMILES： BrC1=C(C(=CC(=C1N)C(C)C)C(C)C)N
Computed Properties
- Exact Mass: 270.07327
- Monoisotopic Mass: 270.07316g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 52.04
1,3-Benzenediamine, 2-bromo-4,6-bis(1-methylethyl)- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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