Cas no 62351-80-8 (1,2-Benzenedicarboxylic acid, 3-amino-, diethyl ester)
62351-80-8 structure
Product Name:1,2-Benzenedicarboxylic acid, 3-amino-, diethyl ester
CAS No:62351-80-8
MF:C12H15NO4
MW:237.251803636551
CID:448275
PubChem ID:11207123
Update Time:2025-04-19
1,2-Benzenedicarboxylic acid, 3-amino-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, 3-amino-, diethyl ester
- 1,2-Benzenedicarboxylic acid, 3-aMino-, 1,2-diethyl ester
- diethyl 3-aminobenzene-1,2-dicarboxylate
- diethyl 3-aminophthalate
- 3-aminophthalic acid diethyl ester
- 62351-80-8
- DTXSID00458769
- SCHEMBL2894636
- PJARQNJKDUFHOZ-UHFFFAOYSA-N
- FT-0754325
-
- Inchi： 1S/C12H15NO4/c1-3-16-11(14)8-6-5-7-9(13)10(8)12(15)17-4-2/h5-7H,3-4,13H2,1-2H3
- InChI Key： PJARQNJKDUFHOZ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(=CC=CC=1C(=O)OCC)N)=O
Computed Properties
- Exact Mass: 237.10015
- Monoisotopic Mass: 237.10010796g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 280
- 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: 2.3
- Topological Polar Surface Area: 78.6?2
Experimental Properties
- PSA: 78.62
1,2-Benzenedicarboxylic acid, 3-amino-, diethyl ester Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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