Cinakase impurity 13

CAT: 0013-GTR19281457-02Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0013-GTR19281457-02Size:50 mg

Selected

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

Quick Request Actions

Description

Cinakase impurity 13 is a variant impurity of Cinakase.

CAS Number

2074615-22-6

Smiles

[C@@H] (NCCCC1=CC (C (F) (F) F) =CC=C1) (C) C2=CC3=C (C=C2) C=CC=C3

Molecular Formula

C22H22F3N

Molecular Weight

357.42

Notes

For research use only.

Chemical Information

(R)-N-(1-(naphthalen-2-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine

CAS Number	2074615-22-6
PubChem CID	59745654
IUPAC Name	N-[(1R)-1-naphthalen-2-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
Molecular Formula	C22H22F3N
Molecular Weight	357.4
XLogP	6.1
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	422

SMILES

C[C@H](C1=CC2=CC=CC=C2C=C1)NCCCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H22F3N/c1-16(19-12-11-18-8-2-3-9-20(18)15-19)26-13-5-7-17-6-4-10-21(14-17)22(23,24)25/h2-4,6,8-12,14-16,26H,5,7,13H2,1H3/t16-/m1/s1

InChIKey

ILSUSBULBRBBLD-MRXNPFEDSA-N

Chemical Structure

2D Structure

CAS: 2074615-22-6

CID: 59745654

Formula: C22H22F3N

MW: 357.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	357.4
XLogP3	6.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	357.17043419
Monoisotopic Mass	357.17043419
Topological Polar Surface Area	12 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	422
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
GTR19280733-01	Cinakase impurity 1
GTR19280729-01	Cinakase impurity 11
GTR19280907-01	Linagliptin impurity 13
GTR19280962-01	Rebamipide impurity 13
GTR19280904-01	Tazobactam impurity 13
GTR19280678-01	Bedaquinoline impurity 13
GTR19280625-01	Dacomitinib impurity 13
GTR19280918-01	Omeprazole impurity 13
GTR19276701-01	13-Methoxy-13-oxotridecanoic acid
GTR19276425-01	13- (Benzyloxy) -13-oxotridecanoic acid

Catalog	Name
HY-I0194-01	Cinakase impurity 1
HY-I0577-01	Cinakase impurity 11
HY-I0391-01	Cinakase impurity 13
HY-I0194R	Cinakase impurity 1 (Standard)
HY-I0577R-01	Cinakase impurity 11 (Standard)
AR-C02408-01	Chlorguanide Impurity A (Proguanil Impurity A)
AR-N01251-01	Nelfinavir Oxazole Impurity (Impurity A)
AR-F01795-01	Flupirtine Impurity A (Impurity I)
RM-G271003-01	Gc376 Impurity 3; Nirmatrelvir Impurity
AR-R01737-01	Ritonavir Impurity G (Hydroperoxide Impurity)