Cas no 228252-33-3 (Cyclohexanecarboxylicacid, 1-amino-4-methyl-, propyl ester)
228252-33-3 structure
Product Name:Cyclohexanecarboxylicacid, 1-amino-4-methyl-, propyl ester
CAS No:228252-33-3
MF:C11H21NO2
MW:199.28994345665
CID:245093
PubChem ID:43248013
Update Time:2025-04-19
Cyclohexanecarboxylicacid, 1-amino-4-methyl-, propyl ester Chemical and Physical Properties
Names and Identifiers
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- Cyclohexanecarboxylicacid, 1-amino-4-methyl-, propyl ester
- Cyclohexanecarboxylic acid, 1-amino-4-methyl-, propyl ester (9CI)
- 228252-33-3
- Cyclohexanecarboxylic acid,1-amino-4-methyl-,propyl ester(9ci)
-
- Inchi： 1S/C11H21NO2/c1-3-8-14-10(13)11(12)6-4-9(2)5-7-11/h9H,3-8,12H2,1-2H3
- InChI Key： KWOKNDOVDNZCAG-UHFFFAOYSA-N
- SMILES： O(CCC)C(C1(CCC(C)CC1)N)=O
Computed Properties
- Exact Mass: 199.15700
- Monoisotopic Mass: 199.157228913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 196
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.32000
- LogP: 2.54750
Cyclohexanecarboxylicacid, 1-amino-4-methyl-, propyl ester Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
228252-33-3 (Cyclohexanecarboxylicacid, 1-amino-4-methyl-, propyl ester) Related Products
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