3-Aminoisoquinoline

CAT: 0127-OR22000-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR22000-01Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

25475-67-6

Synonyms

Isoquinolin-3-amine, 3-Amino-2-azanaphthalene

MDL Number

MFCD00102190

Purity

97%

Smiles

Nc1cc2ccccc2cn1

Chemical Information

Isoquinolin-3-Amine

CAS Number	25475-67-6
PubChem CID	311869
IUPAC Name	isoquinolin-3-amine
Molecular Formula	C9H8N2
Molecular Weight	144.17
XLogP	1.8
Topological Polar Surface Area	38.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	136

SMILES

C1=CC=C2C=NC(=CC2=C1)N

InChI

InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)

InChIKey

VYCKDIRCVDCQAE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25475-67-6

CID: 311869

Formula: C9H8N2

MW: 144.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.17
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	144.068748264
Monoisotopic Mass	144.068748264
Topological Polar Surface Area	38.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
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

Catalog	Name
OR315041-01	1-Aminoisoquinoline
OR2818-01	4-Aminoisoquinoline
OR17108-01	7-Aminoisoquinoline
OR3742-01	5-Aminoisoquinoline
OR60070-01	6-Aminoisoquinoline
OR3549-01	8-Aminoisoquinoline
OR1076182	1-Aminoisoquinoline hydrochloride
OR82239	1-Aminoisoquinoline-6-carbonitrile
OR1062130-01	Methyl 7-aminoisoquinoline-4-carboxylate
OR1059421-01	5-Aminoisoquinoline-8-carboxylic acid

Catalog	Name
sc-260702A	3-Aminoisoquinoline
260361-01	6-Aminoisoquinoline
abx182351-01	8-Aminoisoquinoline
sc-262901	7-Aminoisoquinoline
abx183669-01	5-Aminoisoquinoline
sc-222660A	1-Aminoisoquinoline
HMC54130-01	4-Aminoisoquinoline-3-carboxylic acid
sc-261668	4-Aminoisoquinoline
A23630-01	5-Aminoisoquinoline 99%
CEC90275-01	3-Aminoisoquinoline-1-carboxylic acid