1-Methylisoquinolin-5-amine

CAT: 0926-VAA33561-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-VAA33561-01Size:50 mg

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CAS Number

20335-61-9

MDL Number

MFCD18260474

Molecular Formula

C10H10N2

Molecular Weight

158.2 g/mol

Controlled

Chemical Information

1-Methylisoquinolin-5-amine

CAS Number	20335-61-9
PubChem CID	9989490
IUPAC Name	1-methylisoquinolin-5-amine
Molecular Formula	C10H10N2
Molecular Weight	158.20
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	12
Formal Charge	0
Complexity	158

SMILES

CC1=NC=CC2=C1C=CC=C2N

InChI

InChI=1S/C10H10N2/c1-7-8-3-2-4-10(11)9(8)5-6-12-7/h2-6H,11H2,1H3

InChIKey

KBDMNBWTHOKXQA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20335-61-9

CID: 9989490

Formula: C10H10N2

MW: 158.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.20
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	158.084398327
Monoisotopic Mass	158.084398327
Topological Polar Surface Area	38.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	158
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
M305465	4-Methylisoquinolin-5-amine
OR1047464-01	6-Methylisoquinolin-5-amine
OR1033216-01	1-Chloro-6-methylisoquinolin-5-amine
OR1061771-01	6-Bromo-1-methylisoquinolin-5-amine
OR1047520-01	5-Bromo-6-methylisoquinolin-1-amine
OR1045373-01	1-Methylisoquinolin-3-amine
OR1044683-01	N-Methylisoquinolin-1-amine
OR86516-01	N-Methylisoquinolin-4-amine
OR1071441-01	4-Methylisoquinolin-3-amine
OR1004813-01	3-Chloro-N-methylisoquinolin-1-amine