Cas no 5428-12-6 ( )
structure
Product Name:
CAS No:5428-12-6
MF:C11H21NO2
MW:199.28994345665
CID:940442
PubChem ID:224404
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- ALBB-005897; AC1Q535M; 2-Amino-5-cyclohexyl-1,3,4-oxdiazol; SBB046623; 5-Cyclohexyl-[1,3,4]oxadiazol-2-ylamine; STK503603; 2-amino-5-cyclohexyl-valeric acid; AGN-PC-015POA; 5-cyclohexyl-[1,3,4]oxadiazol-2-ylamine; F2182-0002; 2-Amino-5-cyclohexyl-valeriansaeure;
- rac-2-amino-5-cyclohexylpentanoic acid
- BDBM50179718
- 2-amino-5-cyclohexylpentanoic acid
- NSC12805
- SCHEMBL5843561
- 5-Cyclohexylnorvaline
- NSC-12805
- Cyclohexanepentanoic acid, alpha-amino-
- CHEMBL380671
- 5428-12-6
-
-
- Inchi： 1S/C11H21NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h9-10H,1-8,12H2,(H,13,14)
- InChI Key： LGIVZSMPEFXNLH-UHFFFAOYSA-N
- SMILES： OC(C(CCCC1CCCCC1)N)=O
Computed Properties
- Exact Mass: 199.15733
- Monoisotopic Mass: 199.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- Density: 1.036
- Boiling Point: 335.7°C at 760 mmHg
- Flash Point: 156.8°C
- Refractive Index: 1.493
- PSA: 63.32
- LogP: 2.84920
Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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