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89376-05-6 | 1-Butanol, 4-[(5-amino-2-ethyl-2-methyl-3(2H)-furanylidene)amino]-
CAS No: 89376-05-6 Catalog No: AG003WMJ MDL No:
Product Description
Catalog Number:
AG003WMJ
Chemical Name:
1-Butanol, 4-[(5-amino-2-ethyl-2-methyl-3(2H)-furanylidene)amino]-
CAS Number:
89376-05-6
Molecular Formula:
C11H20N2O2
Molecular Weight:
212.2887
IUPAC Name:
4-[(5-amino-2-ethyl-2-methylfuran-3-ylidene)amino]butan-1-ol
InChI:
InChI=1S/C11H20N2O2/c1-3-11(2)9(8-10(12)15-11)13-6-4-5-7-14/h8,14H,3-7,12H2,1-2H3
InChI Key:
LMQSRBAUUFKSNF-UHFFFAOYSA-N
SMILES:
OCCCCN=C1C=C(OC1(C)CC)N
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.293g/mol
Monoisotopic Mass:
212.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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