Cas no 769888-03-1 (1H-Imidazole-5-carboxylicacid, 4-(2-aminoethyl)-, methyl ester)
769888-03-1 structure
Product Name:1H-Imidazole-5-carboxylicacid, 4-(2-aminoethyl)-, methyl ester
CAS No:769888-03-1
MF:C7H11N3O2
MW:169.181141138077
CID:551234
PubChem ID:15236430
Update Time:2025-04-19
1H-Imidazole-5-carboxylicacid, 4-(2-aminoethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-5-carboxylicacid, 4-(2-aminoethyl)-, methyl ester
- 1H-Imidazole-4-carboxylicacid, 5-(2-aminoethyl)-, methyl ester (9CI)
- methyl 5-(2-aminoethyl)-1H-imidazole-4-carboxylate
- 769888-03-1
- Methyl 4-(2-aminoethyl)-1H-imidazole-5-carboxylate
- DTXSID60570355
-
- Inchi： 1S/C7H11N3O2/c1-12-7(11)6-5(2-3-8)9-4-10-6/h4H,2-3,8H2,1H3,(H,9,10)
- InChI Key： NHDCTBFZZTYGQL-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(CCN)NC=N1)=O
Computed Properties
- Exact Mass: 169.085126602g/mol
- Monoisotopic Mass: 169.085126602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 163
- 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: -0.4
- Topological Polar Surface Area: 81?2
1H-Imidazole-5-carboxylicacid, 4-(2-aminoethyl)-, methyl ester Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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