Cas no 101077-07-0 (2-bicyclo[3.1.0]hexanyl(cyclopropyl)azanium;2-hydroxy-2-oxoacetate)
101077-07-0 structure
Product Name:2-bicyclo[3.1.0]hexanyl(cyclopropyl)azanium;2-hydroxy-2-oxoacetate
CAS No:101077-07-0
MF:C11H17NO4
MW:227.2569835186
CID:1127584
Update Time:2024-07-27
2-bicyclo[3.1.0]hexanyl(cyclopropyl)azanium;2-hydroxy-2-oxoacetate Chemical and Physical Properties
Names and Identifiers
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- N-Bicyclo(3.1.0)hex-2-ylcyclopropylamine oxalate
- n-cyclopropylbicyclo[3.1.0]hexan-2-amine ethanedioate
- CYCLOPROPYLAMINE, N-BICYCLO(3.1.0)HEX-2-YL-, OXALATE
- AC1L1OF5
- AC1Q2297
- LS-58816
- 4-bicyclo[3.1.0]hexanyl(cyclopropyl)azanium
- 2-bicyclo[3.1.0]hexanyl(cyclopropyl)azanium,2-hydroxy-2-oxoacetate
- 2-bicyclo[3.1.0]hexanyl(cyclopropyl)azanium
- 2-hydroxy-2-oxoacetate
- Bicyclo[3.1.0]hexan-2-amine, N-cyclopropyl-, ethanedioate (1:1)
- 2-bicyclo[3.1.0]hexanyl(cyclopropyl)azanium;2-hydroxy-2-oxoacetate
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- Inchi: 1S/C9H15N.C2H2O4/c1-4-9(8-5-6(1)8)10-7-2-3-7;3-1(4)2(5)6/h6-10H,1-5H2;(H,3,4)(H,5,6)
- InChI Key: CXWVDIRIRVSRFZ-UHFFFAOYSA-N
- SMILES: C(=O)(O)C(=O)O.N(C1CC1)C1CCC2CC12
Computed Properties
- Exact Mass: 227.11581
- Monoisotopic Mass: 227.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 229
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 94A^2
Experimental Properties
- Boiling Point: 199.4°C at 760 mmHg
- Flash Point: 65.2°C
- PSA: 94.04
- LogP: 1.08340
2-bicyclo[3.1.0]hexanyl(cyclopropyl)azanium;2-hydroxy-2-oxoacetate Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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