1-Methylisoquinolin-3-amine

CAT: 0127-OR1045373-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1045373-01Size:100 mg

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CAS Number

15787-16-3

MDL Number

MFCD15526568

Purity

95%

Smiles

NC1=CC2=C(C(C)=N1)C=CC=C2

Chemical Information

1-Methylisoquinolin-3-amine

CAS Number	15787-16-3
PubChem CID	15426261
IUPAC Name	1-methylisoquinolin-3-amine
Molecular Formula	C10H10N2
Molecular Weight	158.20
XLogP	2.2
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=CC=CC=C12)N

InChI

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

InChIKey

LXCFBXJAERRYNS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15787-16-3

CID: 15426261

Formula: C10H10N2

MW: 158.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.20
XLogP3	2.2
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
OR1071441-01	4-Methylisoquinolin-3-amine
OR1044683-01	N-Methylisoquinolin-1-amine
OR26514	1-bromo-4-methylisoquinolin-3-amine
OR1004813-01	3-Chloro-N-methylisoquinolin-1-amine
OR86516-01	N-Methylisoquinolin-4-amine
OR1033216-01	1-Chloro-6-methylisoquinolin-5-amine
OR1047464-01	6-Methylisoquinolin-5-amine
OR1047520-01	5-Bromo-6-methylisoquinolin-1-amine
OR1061771-01	6-Bromo-1-methylisoquinolin-5-amine
OR909962-01	1-Methylisoquinolin-3-ol