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67668-98-8 | 1,3-Benzodioxole-5-ethanamine, N-(2-(1,3-benzodioxol-5-yl)-1-methylethyl)-alpha-methyl-
CAS No: 67668-98-8 Catalog No: AG00644N MDL No:
Product Description
Catalog Number:
AG00644N
Chemical Name:
1,3-Benzodioxole-5-ethanamine, N-(2-(1,3-benzodioxol-5-yl)-1-methylethyl)-alpha-methyl-
CAS Number:
67668-98-8
Molecular Formula:
C20H23NO4
Molecular Weight:
341.4009
IUPAC Name:
1-(1,3-benzodioxol-5-yl)-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]propan-2-amine
InChI:
InChI=1S/C20H23NO4/c1-13(7-15-3-5-17-19(9-15)24-11-22-17)21-14(2)8-16-4-6-18-20(10-16)25-12-23-18/h3-6,9-10,13-14,21H,7-8,11-12H2,1-2H3
InChI Key:
ODCWHKDDEIOJLN-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc2c(c1)OCO2)NC(Cc1ccc2c(c1)OCO2)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.407g/mol
Monoisotopic Mass:
341.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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