Fasudil Impurity 5

CAT: 1299-RM-F226831-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F226831-01Size:10 mg

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CAS Number

119-65-3

Synonyms

Isoquinoline

Molecular Formula

C9H7N

Molecular Weight

129.16

Target Alternative Name

Fasudil

Product Name Synonym

Isoquinoline

Chemical Information

Isoquinoline

Isoquinoline is an ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring. It is a member of isoquinolines, a mancude organic heterobicyclic parent, an azaarene and an ortho-fused heteroarene.

CAS Number	119-65-3
PubChem CID	8405
IUPAC Name	isoquinoline
Molecular Formula	C9H7N
Molecular Weight	129.16
XLogP	2.1
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	111

SMILES

C1=CC=C2C=NC=CC2=C1

InChI

InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H

InChIKey

AWJUIBRHMBBTKR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119-65-3

CID: 8405

Formula: C9H7N

MW: 129.16

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	129.16
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	129.057849228
Monoisotopic Mass	129.057849228
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	111
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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Fasudil Impurity 5

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