944467-91-8
4-(AMINOMETHYL)-5-ISOBUTYL-2-METHYL-3-FUROIC ACID HYDROCHLORIDE
Name4-(AMINOMETHYL)-5-ISOBUTYL-2-METHYL-3-FUROIC ACID HYDROCHLORIDE
FormulaC11 H17 N O3 . Cl H
1Identification
【Name】
4-(AMINOMETHYL)-5-ISOBUTYL-2-METHYL-3-FUROIC ACID HYDROCHLORIDE
【CAS】
【MDL】
MFCD04217183
【English Synonyms】
【Formula】
C11 H17 N O3 . Cl H
【MolWeight】
247.72
【Inchi】
InChI=1S/C11H17NO3.ClH/c1-6(2)4-9-8(5-12)10(11(13)14)7(3)15-9;/h6H,4-5,12H2,1-3H3,(H,13,14);1H
【InChIKey】
InChIKey=YFUYATAFSLYBHV-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(o1)CC(C)C)CN)C(=O)O.Cl
【MOL File】
4-(AMINOMETHYL)-5-IS….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(AMINOMETHYL)-5-ISOBUTYL-2-METHYL-3-FUROIC ACID HYDROCHLORIDE.cml