868592-02-3
N-CYCLOPENTYL-BETA-ALANINE 1,1-DIMETHYLETHYL ESTER
NameN-CYCLOPENTYL-BETA-ALANINE 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
N-CYCLOPENTYL-BETA-ALANINE 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD06761670
【English Synonyms】
【Formula】
C12 H23 N O2
【MolWeight】
213.319
【Inchi】
InChI=1S/C12H23NO2/c1-12(2,3)15-11(14)8-9-13-10-6-4-5-7-10/h10,13H,4-9H2,1-3H3
【InChIKey】
InChIKey=FBUMKBOYVOHBEQ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)CCNC1CCCC1
【MOL File】
N-CYCLOPENTYL-BETA-A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-CYCLOPENTYL-BETA-ALANINE 1,1-DIMETHYLETHYL ESTER.cml