72156-41-3
1,3-BENZODIOXOLE-5-METHANAMINE, N-(1-METHYLETHYL)-, (E)-2-BUTENEDIOATE (SALT) (1:1)
Name
1,3-BENZODIOXOLE-5-METHANAMINE, N-(1-METHYLETHYL)-, (E)-2-BUTENEDIOATE (SALT) (1:1)
pro_formula
C11 H15 N O2 . C4 H4 O4
pro_molWeight
309.316
1Identification
【Name】
1,3-BENZODIOXOLE-5-METHANAMINE, N-(1-METHYLETHYL)-, (E)-2-BUTENEDIOATE (SALT) (1:1)
【CAS】
【MDL】
MFCD01766301
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H15 N O2 . C4 H4 O4
【pro_molWeight】
309.316
【Inchi】
InChI=1S/C11H15NO2.C4H4O4/c1-8(2)12-6-9-3-4-10-11(5-9)14-7-13-10;5-3(6)1-2-4(7)8/h3-5,8,12H,6-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
【InChIKey】
InChIKey=JZHIMFGMRZHDTL-WLHGVMLRSA-N
【SMILES】
CC(C)NCc1ccc2c(c1)OCO2.C(=C/C(=O)O)\C(=O)O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:3
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1,3-BENZODIOXOLE-5-METHANAMINE, N-(1-METHYLETHYL)-, (E)-2-BUTENEDIOATE (SALT) (1:1).cml
quick_release
1,3-BENZODIOXOLE-5-METHANAMINE, N-(1-METHYLETHYL)-, BUTANEDIOATE (SALT) (2:1)
72156-42-4
1,3-BENZODIOXOLE-5-METHANAMINE, N-(1-METHYLETHYL)-, 2-HYDROXY-1,2,3-PR OPANETRICARBOXYLATE (3:1)
72156-44-6
1,3-BENZODIOXOLE-5-METHANAMINE, N-(1-METHYLETHYL)-, ACETATE (SALT)
72156-39-9
N-(1-METHYLETHYL)-1,3-BENZODIOXOLE-5-METHANAMINE METHANESULFONATE (SALT)
72156-43-5
SuppliersList
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