725252-85-7
1-(3,4-DIMETHYLPHENYLAMINO)CYCLOHEXANECARBOXYLIC ACID
Name1-(3,4-DIMETHYLPHENYLAMINO)CYCLOHEXANECARBOXYLIC ACID
1Identification
【Name】
1-(3,4-DIMETHYLPHENYLAMINO)CYCLOHEXANECARBOXYLIC ACID
【CAS】
【MDL】
MFCD04116957
【English Synonyms】
【Formula】
C15 H21 N O2
【MolWeight】
247.336
【Inchi】
InChI=1S/C15H21NO2/c1-11-6-7-13(10-12(11)2)16-15(14(17)18)8-4-3-5-9-15/h6-7,10,16H,3-5,8-9H2,1-2H3,(H,17,18)
【InChIKey】
InChIKey=XFHQPKNSTNQPPD-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)NC2(CCCCC2)C(=O)O
【MOL File】
1-(3,4-DIMETHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3,4-DIMETHYLPHENYLAMINO)CYCLOHEXANECARBOXYLIC ACID.cml