Cas no 87974-92-3 (Heptanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester)
![Heptanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester structure](https://ossimg.kuujia.com/scimg/88000/87974-92-3x500.png)
87974-92-3 structure
Product Name:Heptanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS No:87974-92-3
MF:C13H25NO4
MW:259.341904401779
CID:649809
PubChem ID:23385787
Update Time:2025-04-19
Heptanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Heptanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
- methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate
- 2-(tert-butoxycarbonylamino)-heptanoic acid methyl ester
- 87974-92-3
- SCHEMBL18109347
- DTXSID20633536
- methyl 2-[(tert-butoxycarbonyl)amino]heptanoate
-
- Inchi： 1S/C13H25NO4/c1-6-7-8-9-10(11(15)17-5)14-12(16)18-13(2,3)4/h10H,6-9H2,1-5H3,(H,14,16)
- InChI Key： RUNUKPJHZWNNRB-UHFFFAOYSA-N
- SMILES： O(C(NC(C(=O)OC)CCCCC)=O)C(C)(C)C
Computed Properties
- Exact Mass: 259.17835828g/mol
- Monoisotopic Mass: 259.17835828g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 271
- 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: 2.7
- Topological Polar Surface Area: 64.6?2
Heptanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
87974-92-3 (Heptanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester) Related Products
- 2419-94-5(N-Boc-L-glutamic acid)
- 53308-95-5(Boc-Nva-OH)
- 13139-16-7(Boc-L-Ile-OH)
- 16937-99-8((tert-Butoxycarbonyl)-D-leucine)
- 13139-15-6(Boc-L-Leu-OH)
- 13726-84-6(Boc-Glu(OtBu)-OH)
- 13726-85-7(tert-Butoxycarbonyl-L-glutamine)
- 24277-39-2(Boc-Glu-OtBu)
- 21887-64-9(Nα-Boc-L-Ornithine)
- 13734-28-6(Boc-Lys-OH)
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