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89376-11-4 | 1-Butanol, 4-[(5-amino-2,2-diethyl-3(2H)-furanylidene)amino]-
CAS No: 89376-11-4 Catalog No: AG003WFE MDL No:
Product Description
Catalog Number:
AG003WFE
Chemical Name:
1-Butanol, 4-[(5-amino-2,2-diethyl-3(2H)-furanylidene)amino]-
CAS Number:
89376-11-4
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
IUPAC Name:
4-[(5-amino-2,2-diethylfuran-3-ylidene)amino]butan-1-ol
InChI:
InChI=1S/C12H22N2O2/c1-3-12(4-2)10(9-11(13)16-12)14-7-5-6-8-15/h9,15H,3-8,13H2,1-2H3
InChI Key:
YABYNOPULYMIGK-UHFFFAOYSA-N
SMILES:
OCCCCN=C1C=C(OC1(CC)CC)N
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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