Tofacitinib Related Impurity 2

CAT: 1299-RM-T060328-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T060328-01Size:10 mg

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CAS Number

3430-27-1

Synonyms

3-Amino-4-methylpyridine

Molecular Formula

C6H8N2

Molecular Weight

108.14

Target Alternative Name

Tofacitinib

Product Name Synonym

3-Amino-4-methylpyridine

Chemical Information

3-Amino-4-picoline

structure in first source

CAS Number	3430-27-1
PubChem CID	137935
IUPAC Name	4-methylpyridin-3-amine
Molecular Formula	C6H8N2
Molecular Weight	108.14
XLogP	0.5
Topological Polar Surface Area	38.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	72

SMILES

CC1=C(C=NC=C1)N

InChI

InChI=1S/C6H8N2/c1-5-2-3-8-4-6(5)7/h2-4H,7H2,1H3

InChIKey

IBKMZYWDWWIWEL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3430-27-1

CID: 137935

Formula: C6H8N2

MW: 108.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	108.14
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	108.068748264
Monoisotopic Mass	108.068748264
Topological Polar Surface Area	38.9 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.9
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
RM-T060331-01	Tofacitinib Related Impurity 5
RM-T060329-01	Tofacitinib Related Impurity 3
RM-T060335-01	Tofacitinib Related Impurity 9
RM-T060327-01	Tofacitinib Related Impurity 1
RM-T060333-01	Tofacitinib Related Impurity 7
RM-T060332-01	Tofacitinib Related Impurity 6
RM-T060330-01	Tofacitinib Related Impurity 4
RM-T060336-01	Tofacitinib Related Impurity 10
RM-T060301-01	Tofacitinib Impurity A
RM-T060541-01	Tofacitinib Impurity 213

Catalog	Name
AR-T02441-01	Tofacitinib Related Impurity (PF-05579970)
IT182479-01	Tofacitinib impurity
AR-T02426-01	Tofacitinib Impurity A
QQC97235-01	Tofacitinib dihydro impurity
CS-T-88424	Tofacitinib Benzyl Impurity
CS-RS-00137	Tofacitinib Impurity 59
CS-O-57488	Tofacitinib Impurity 67
CS-O-54081	Tofacitinib Butyl Impurity
CS-O-46779	Tofacitinib Diasteromeric impurity
CS-O-40535	Tofacitinib Impurity 16