Cas no 5428-15-9 (Cyclohexanepentanoic acid, a-(methylamino)-)
5428-15-9 structure
Product Name:Cyclohexanepentanoic acid, a-(methylamino)-
CAS No:5428-15-9
MF:C12H23NO2
MW:213.316523790359
CID:386691
PubChem ID:224407
Update Time:2025-04-19
Cyclohexanepentanoic acid, a-(methylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanepentanoic acid, a-(methylamino)-
- (2S)-5-cyclohexyl-2-(methylamino)pentanoic acid
- NSC12808
- 5428-15-9
- NSC-12808
-
- Inchi： 1S/C12H23NO2/c1-13-11(12(14)15)9-5-8-10-6-3-2-4-7-10/h10-11,13H,2-9H2,1H3,(H,14,15)
- InChI Key： WDRCCBXCNBGPBV-UHFFFAOYSA-N
- SMILES： OC(C(CCCC1CCCCC1)NC)=O
Computed Properties
- Exact Mass: 213.17299
- Monoisotopic Mass: 213.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 188
- 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: 1.1
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- Density: 0.997
- Boiling Point: 335.7°Cat760mmHg
- Flash Point: 156.8°C
- Refractive Index: 1.478
- PSA: 49.33
- LogP: 2.80050
Cyclohexanepentanoic acid, a-(methylamino)- Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
5428-15-9 (Cyclohexanepentanoic acid, a-(methylamino)-) Related Products
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