Grapiprant Impurity 1

CAT: 1596-AR-G02881-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G02881-02Size:25 Units

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CAS Number

415908-96-2

Synonyms

2- (4- (2-ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl) phenyl) ethan-1-amine

Molecular Formula

C18H22N4

Molecular Weight

294.4

API Name

Grapiprant

Chemical Information

Grapiprant Impurity 1

CAS Number	415908-96-2
PubChem CID	21875878
IUPAC Name	2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanamine
Molecular Formula	C18H22N4
Molecular Weight	294.4
XLogP	3
Topological Polar Surface Area	56.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	353

SMILES

CCC1=NC2=C(N1C3=CC=C(C=C3)CCN)C=C(N=C2C)C

InChI

InChI=1S/C18H22N4/c1-4-17-21-18-13(3)20-12(2)11-16(18)22(17)15-7-5-14(6-8-15)9-10-19/h5-8,11H,4,9-10,19H2,1-3H3

InChIKey

DNWQHWFJPGMXKH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 415908-96-2

CID: 21875878

Formula: C18H22N4

MW: 294.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.4
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	294.18444672
Monoisotopic Mass	294.18444672
Topological Polar Surface Area	56.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	353
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

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