Minodronic Acid Impurity 27

CAT: 1299-RM-M041853-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M041853-01Size:10 mg

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CAS Number

164733-64-6

Synonyms

N- (4-methylbenzyl) pyridin-2-amine

Molecular Formula

C13H14N2

Molecular Weight

198.27

Target Alternative Name

Minodronic Acid

Product Name Synonym

N- (4-methylbenzyl) pyridin-2-amine

Chemical Information

N-[(4-methylphenyl)methyl]pyridin-2-amine

CAS Number	164733-64-6
PubChem CID	462453
IUPAC Name	N-[(4-methylphenyl)methyl]pyridin-2-amine
Molecular Formula	C13H14N2
Molecular Weight	198.26
XLogP	3
Topological Polar Surface Area	24.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	173

SMILES

CC1=CC=C(C=C1)CNC2=CC=CC=N2

InChI

InChI=1S/C13H14N2/c1-11-5-7-12(8-6-11)10-15-13-4-2-3-9-14-13/h2-9H,10H2,1H3,(H,14,15)

InChIKey

OCTICYCGZSQLOX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 164733-64-6

CID: 462453

Formula: C13H14N2

MW: 198.26

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	198.26
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	198.115698455
Monoisotopic Mass	198.115698455
Topological Polar Surface Area	24.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	173
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes