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144601-84-3 | 1H-Isoindol-3-amine, 1-imino-4-[2-methyl-1-(1-methylethyl)butoxy]-
CAS No: 144601-84-3 Catalog No: AG001JUG MDL No:
Product Description
Catalog Number:
AG001JUG
Chemical Name:
1H-Isoindol-3-amine, 1-imino-4-[2-methyl-1-(1-methylethyl)butoxy]-
CAS Number:
144601-84-3
Molecular Formula:
C16H23N3O
Molecular Weight:
273.3733
IUPAC Name:
7-(2,4-dimethylhexan-3-yloxy)-3-iminoisoindol-1-amine
InChI:
InChI=1S/C16H23N3O/c1-5-10(4)14(9(2)3)20-12-8-6-7-11-13(12)16(18)19-15(11)17/h6-10,14H,5H2,1-4H3,(H3,17,18,19)
InChI Key:
SVAGIMGOPVUVKW-UHFFFAOYSA-N
SMILES:
CCC(C(C(C)C)Oc1cccc2c1C(=NC2=N)N)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.38g/mol
Monoisotopic Mass:
273.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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