13564-81-3
BUTYRAMIDE, 2-AMINO-N-(2-(5-METHOXY-3-INDOLYL)ETHYL)-4-(METHYLTHIO)-, TARTRATE (1:1)
NameBUTYRAMIDE, 2-AMINO-N-(2-(5-METHOXY-3-INDOLYL)ETHYL)-4-(METHYLTHIO)-, TARTRATE (1:1)
FormulaC16 H23 N3 O2 S . C4 H6 O6
1Identification
【Name】
BUTYRAMIDE, 2-AMINO-N-(2-(5-METHOXY-3-INDOLYL)ETHYL)-4-(METHYLTHIO)-, TARTRATE (1:1)
【CAS】
【MDL】
MFCD01656622
【English Synonyms】
【Formula】
C16 H23 N3 O2 S . C4 H6 O6
【MolWeight】
471.528
【Inchi】
InChI=1S/C16H23N3O2S.C4H6O6/c1-21-12-3-4-15-13(9-12)11(10-19-15)5-7-18-16(20)14(17)6-8-22-2;5-1(3(7)8)2(6)4(9)10/h3-4,9-10,14,19H,5-8,17H2,1-2H3,(H,18,20);1-2,5-6H,(H,7,8)(H,9,10)
【InChIKey】
InChIKey=KFKBFEMDILSEIV-UHFFFAOYSA-N
【SMILES】
COc1ccc2c(c1)c(c[nH]2)CCNC(=O)C(CCSC)N.C(C(C(=O)O)O)(C(=O)O)O
【MOL File】
BUTYRAMIDE, 2-AMINO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BUTYRAMIDE, 2-AMINO-N-(2-(5-METHOXY-3-INDOLYL)ETHYL)-4-(METHYLTHIO)-, TARTRATE (1:1).cml