55982-97-3
3-[(3,4-DIMETHOXYPHENETHYL)AMINO]PROPANENITRILE
Name
3-[(3,4-DIMETHOXYPHENETHYL)AMINO]PROPANENITRILE
Formula
C13 H18 N2 O2
MolWeight
234.297
1Identification
【Name】
3-[(3,4-DIMETHOXYPHENETHYL)AMINO]PROPANENITRILE
【CAS】
【MDL】
MFCD00121810
【English Synonyms】
【Formula】
C13 H18 N2 O2
【MolWeight】
234.297
【Inchi】
InChI=1S/C13H18N2O2/c1-16-12-5-4-11(10-13(12)17-2)6-9-15-8-3-7-14/h4-5,10,15H,3,6,8-9H2,1-2H3
【InChIKey】
InChIKey=ADBWWKCONMODJQ-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1OC)CCNCCC#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-[(3,4-DIMETHOXYPHENETHYL)AMINO]PROPANENITRILE.cml
Quick Release
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