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88138-72-1 | Benzenamine, 4-[3-(1H-imidazol-1-yl)propoxy]-
CAS No: 88138-72-1 Catalog No: AG004DAN MDL No:
Product Description
Catalog Number:
AG004DAN
Chemical Name:
Benzenamine, 4-[3-(1H-imidazol-1-yl)propoxy]-
CAS Number:
88138-72-1
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
IUPAC Name:
4-(3-imidazol-1-ylpropoxy)aniline
InChI:
InChI=1S/C12H15N3O/c13-11-2-4-12(5-3-11)16-9-1-7-15-8-6-14-10-15/h2-6,8,10H,1,7,9,13H2
InChI Key:
FUFQPMKTPZSCFI-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)OCCCn1cncc1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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