Cas no 313683-55-5 (1,3-Cyclohexanedicarboxylicacid, 5-amino-)
313683-55-5 structure
Product Name:1,3-Cyclohexanedicarboxylicacid, 5-amino-
CAS No:313683-55-5
MF:C8H13NO4
MW:187.193122625351
CID:301019
PubChem ID:21925321
Update Time:2025-04-19
1,3-Cyclohexanedicarboxylicacid, 5-amino- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanedicarboxylicacid, 5-amino-
- (3,5-Dicarboxycyclohexyl)amine
- 5-aminocyclohexane-1,3-dicarboxylic acid
- SCHEMBL4883600
- DTXSID80620220
- 313683-55-5
-
- Inchi： 1S/C8H13NO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h4-6H,1-3,9H2,(H,10,11)(H,12,13)
- InChI Key： XRHDGTKEPGEJDD-UHFFFAOYSA-N
- SMILES： OC(C1CC(CC(C(=O)O)C1)N)=O
Computed Properties
- Exact Mass: 187.08449
- Monoisotopic Mass: 187.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 206
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 100.62
1,3-Cyclohexanedicarboxylicacid, 5-amino- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
313683-55-5 (1,3-Cyclohexanedicarboxylicacid, 5-amino-) Related Products
- 25912-50-9(3-aminocyclohexane-1-carboxylic acid)
- 3685-25-4(trans-4-Aminocyclohexanecarboxylic acid)
- 16636-51-4(cis-3-aminocyclohexanecarboxylicacid)
- 1197-54-2(2-(4-Aminocyclohexyl)acetic acid)
- 3685-23-2(cis-4-aminocyclohexanecarboxylic acid)
- 74307-75-8(trans-3-Aminocyclobutanecarboxylic acid)
- 74316-27-1(cis-3-Aminocyclobutanecarboxylic acid)
- 19297-28-0(trans-3-Aminocyclopentanecarboxylic acid)
- 1776-53-0(4-Aminocyclohexanecarboxylic Acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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