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Irbesartan Impurity 39

CAT: 1299-RM-I192039-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I192039-01Size:10 mg
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CAS Number
147225-68-1
Synonyms
(2'- (1H-tetrazol-5-yl) -[1,1'-biphenyl]-4-yl) methanamine
Molecular Formula
C14H13N5
Molecular Weight
251.29
Target Alternative Name
Irbesartan
Product Name Synonym
(2'- (1H-tetrazol-5-yl) -[1,1'-biphenyl]-4-yl) methanamine

Chemical Information

N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amine
CAS Number147225-68-1
PubChem CID15296916
IUPAC Name[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanamine
Molecular FormulaC14H13N5
Molecular Weight251.29
XLogP1.6
Topological Polar Surface Area80.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity277
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)CN)C3=NNN=N3
InChI
InChI=1S/C14H13N5/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-16-18-19-17-14/h1-8H,9,15H2,(H,16,17,18,19)
InChIKey
QSRSXEHFQCQDRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amine
CAS: 147225-68-1
CID: 15296916
Formula: C14H13N5
MW: 251.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.29
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass251.11709544
Monoisotopic Mass251.11709544
Topological Polar Surface Area80.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity277
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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