78718-15-7
TRANS-4-GUANIDINOMETHYLCYCLOHEXANECARBOXYLIC ACID HYDROCHLORIDE
NameTRANS-4-GUANIDINOMETHYLCYCLOHEXANECARBOXYLIC ACID HYDROCHLORIDE
FormulaC9 H17 N3 O2 . Cl H
1Identification
【Name】
TRANS-4-GUANIDINOMETHYLCYCLOHEXANECARBOXYLIC ACID HYDROCHLORIDE
【CAS】
【MDL】
MFCD03428323
【English Synonyms】
【Formula】
C9 H17 N3 O2 . Cl H
【MolWeight】
235.713
【Inchi】
InChI=1S/C9H17N3O2.ClH/c10-9(11)12-5-6-1-3-7(4-2-6)8(13)14;/h6-7H,1-5H2,(H,13,14)(H4,10,11,12);1H/t6-,7-;
【InChIKey】
InChIKey=QCVUPSYRZFNUBN-MEZFUOHNSA-N
【SMILES】
C1C[C@@H](CC[C@H]1CNC(=N)N)C(=O)O.Cl
【MOL File】
TRANS-4-GUANIDINOMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
TRANS-4-GUANIDINOMETHYLCYCLOHEXANECARBOXYLIC ACID HYDROCHLORIDE.cml