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116341-57-2 | 1,3-Benzodioxol-2-amine, 2-(2-buten-1-yl)-N,N-diethyl-
CAS No: 116341-57-2 Catalog No: AG000C8S MDL No:
Product Description
Catalog Number:
AG000C8S
Chemical Name:
1,3-Benzodioxol-2-amine, 2-(2-buten-1-yl)-N,N-diethyl-
CAS Number:
116341-57-2
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
2-but-2-enyl-N,N-diethyl-1,3-benzodioxol-2-amine
InChI:
InChI=1S/C15H21NO2/c1-4-7-12-15(16(5-2)6-3)17-13-10-8-9-11-14(13)18-15/h4,7-11H,5-6,12H2,1-3H3
InChI Key:
LGKINAJJVPURMU-UHFFFAOYSA-N
SMILES:
CCN(C1(CC=CC)Oc2c(O1)cccc2)CC
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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