71066-02-9
BOC-(S)-2-AMINOHEPTANOIC ACID DICYCLOHEXYLAMINE SALT
Name
BOC-(S)-2-AMINOHEPTANOIC ACID DICYCLOHEXYLAMINE SALT
Formula
C12 H23 N . C12 H23 N O4
MolWeight
426.637
1Identification
【Name】
BOC-(S)-2-AMINOHEPTANOIC ACID DICYCLOHEXYLAMINE SALT
【CAS】
【MDL】
MFCD12546211
【English Synonyms】
【Formula】
C12 H23 N . C12 H23 N O4
【MolWeight】
426.637
【Inchi】
InChI=1S/C12H23NO4.C12H23N/c1-5-6-7-8-9(10(14)15)13-11(16)17-12(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h9H,5-8H2,1-4H3,(H,13,16)(H,14,15);11-13H,1-10H2/t9-;/m0./s1
【InChIKey】
InChIKey=DBIPTHWBXDZIFI-FVGYRXGTSA-N
【SMILES】
CCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BOC-(S)-2-AMINOHEPTANOIC ACID DICYCLOHEXYLAMINE SALT.cml
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