Tofacitinib Related Impurity 9

CAT: 1299-RM-T060335-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-T060335-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

1638499-31-6

Synonyms

(3R,4S) -1-benzyl-N,4-dimethylpiperidin-3-amine

Molecular Formula

C14H22N2

Molecular Weight

218.34

Target Alternative Name

Tofacitinib

Product Name Synonym

(3R,4S) -1-benzyl-N,4-dimethylpiperidin-3-amine

Chemical Information

(3R,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine

CAS Number	1638499-31-6
PubChem CID	73357466
IUPAC Name	(3R,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine
Molecular Formula	C14H22N2
Molecular Weight	218.34
XLogP	2.3
Topological Polar Surface Area	15.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	199

SMILES

C[C@H]1CCN(C[C@@H]1NC)CC2=CC=CC=C2

InChI

InChI=1S/C14H22N2/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t12-,14-/m0/s1

InChIKey

NVKDDQBZODSEIN-JSGCOSHPSA-N

Chemical Structure

2D Structure

CAS: 1638499-31-6

CID: 73357466

Formula: C14H22N2

MW: 218.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.34
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	218.178298710
Monoisotopic Mass	218.178298710
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	199
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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-T060327-01	Tofacitinib Related Impurity 1
RM-T060328-01	Tofacitinib Related Impurity 2
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