423736-31-6
(1,3-BENZODIOXOL-5-YLMETHYL)(3-CHLOROBENZYL)AMINE
Name(1,3-BENZODIOXOL-5-YLMETHYL)(3-CHLOROBENZYL)AMINE
1Identification
【Name】
(1,3-BENZODIOXOL-5-YLMETHYL)(3-CHLOROBENZYL)AMINE
【CAS】
【MDL】
MFCD02052672
【English Synonyms】
【Formula】
C15 H14 Cl N O2
【MolWeight】
275.734
【Inchi】
InChI=1S/C15H14ClNO2/c16-13-3-1-2-11(6-13)8-17-9-12-4-5-14-15(7-12)19-10-18-14/h1-7,17H,8-10H2
【InChIKey】
InChIKey=MDUBCBQYZLTKFR-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Cl)CNCc2ccc3c(c2)OCO3
【MOL File】
(1,3-BENZODIOXOL-5-Y….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1,3-BENZODIOXOL-5-YLMETHYL)(3-CHLOROBENZYL)AMINE.cml