Cas no 1149388-27-1 (1,4-Benzenedicarboxylic acid, 3-amino-2,5-dimethyl-, 1-(1,1-dimethylethyl) 4-methyl ester)
1149388-27-1 structure
Product Name:1,4-Benzenedicarboxylic acid, 3-amino-2,5-dimethyl-, 1-(1,1-dimethylethyl) 4-methyl ester
CAS No:1149388-27-1
MF:C15H21NO4
MW:279.33154463768
CID:2139272
Update Time:2023-11-19
1,4-Benzenedicarboxylic acid, 3-amino-2,5-dimethyl-, 1-(1,1-dimethylethyl) 4-methyl ester Chemical and Physical Properties
Names and Identifiers
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- 1-tert-butyl 4-methyl 3-amino-2,5-dimethylterephthalate
- IFHLRFCMJIGRHZ-UHFFFAOYSA-N
- CID 86631945
- 1,4-Benzenedicarboxylic acid, 3-amino-2,5-dimethyl-, 1-(1,1-dimethylethyl) 4-methyl ester
-
- Inchi： 1S/C15H21NO4/c1-8-7-10(13(17)20-15(3,4)5)9(2)12(16)11(8)14(18)19-6/h7H,16H2,1-6H3
- InChI Key： IFHLRFCMJIGRHZ-UHFFFAOYSA-N
- SMILES： O(C(C1C=C(C)C(C(=O)OC)=C(C=1C)N)=O)C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 375
- Topological Polar Surface Area: 78.6
Experimental Properties
- Density: 1.119±0.06 g/cm3(Predicted)
- Boiling Point: 392.4±37.0 °C(Predicted)
- pka: 1.21±0.10(Predicted)
1,4-Benzenedicarboxylic acid, 3-amino-2,5-dimethyl-, 1-(1,1-dimethylethyl) 4-methyl ester Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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