Cas no 259214-44-3 (Cyclopropanecarboxylic acid, 1-amino-2-ethyl-, 1,1-dimethylethyl ester,(1R,2R)-rel-)
259214-44-3 structure
Product Name:Cyclopropanecarboxylic acid, 1-amino-2-ethyl-, 1,1-dimethylethyl ester,(1R,2R)-rel-
CAS No:259214-44-3
MF:C10H19NO2
MW:185.26336312294
CID:1424379
PubChem ID:60099089
Update Time:2025-04-20
Cyclopropanecarboxylic acid, 1-amino-2-ethyl-, 1,1-dimethylethyl ester,(1R,2R)-rel- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanecarboxylic acid, 1-amino-2-ethyl-, 1,1-dimethylethyl ester,(1R,2R)-rel-
- rac-tert-butyl (1R,2R)-1-amino-2-ethylcyclopropane-1-carboxylate
- EN300-37447027
- Rel-tert-butyl (1R,2R)-1-amino-2-ethylcyclopropane-1-carboxylate
- 259214-44-3
- tert-Butyl (1R,2R)-1-amino-2-ethylcyclopropane-1-carboxylate
- 741660-47-9
-
- Inchi： 1S/C10H19NO2/c1-5-7-6-10(7,11)8(12)13-9(2,3)4/h7H,5-6,11H2,1-4H3/t7-,10-/m1/s1
- InChI Key： IHJQXMRANKZAFZ-GMSGAONNSA-N
- SMILES： O(C(C)(C)C)C([C@]1(C[C@H]1CC)N)=O
Computed Properties
- Exact Mass: 58.0783
- Monoisotopic Mass: 185.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 0
Cyclopropanecarboxylic acid, 1-amino-2-ethyl-, 1,1-dimethylethyl ester,(1R,2R)-rel- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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