Products for Research Use Only
RegisterLogin

2-PCCA hydrochloride

CAT: 0127-BUP04099-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP04099-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1609563-70-3
Synonyms
2-PCCA hydrochloride (1609624-97-6 Free base)
Purity
=95%
Smiles
CC[C@H](C)[C@H](N)CN(C1=CC=C(C2=CC=C(C=C2)CCC)C=C1)C([C@@H]3[C@@H](C4=CC=CC=N4)C3)=O.Cl.Cl

Chemical Information

2-PCCA hydrochloride
CAS Number1609563-70-3
PubChem CID134128292
IUPAC Nametrans-(1S,2S)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide;dihydrochloride
Molecular FormulaC30H39Cl2N3O
Molecular Weight528.6
Topological Polar Surface Area59.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity623
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)N(C[C@H]([C@@H](C)CC)N)C(=O)[C@H]3C[C@@H]3C4=CC=CC=N4.Cl.Cl
InChI
InChI=1S/C30H37N3O.2ClH/c1-4-8-22-10-12-23(13-11-22)24-14-16-25(17-15-24)33(20-28(31)21(3)5-2)30(34)27-19-26(27)29-9-6-7-18-32-29;;/h6-7,9-18,21,26-28H,4-5,8,19-20,31H2,1-3H3;2*1H/t21-,26-,27-,28+;;/m0../s1
InChIKey
ZRMICUFWAJDIQJ-WGEINMNRSA-N
Chemical Structure
2D Structure
2D structure of 2-PCCA hydrochloride
CAS: 1609563-70-3
CID: 134128292
Formula: C30H39Cl2N3O
MW: 528.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass527.2470183
Monoisotopic Mass527.2470183
Topological Polar Surface Area59.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP01448-01(1S,2R) -2-PCCA
OR1072312-012,2-Dimethylazetidine hydrochloride
OR905516-012,2-Dimethylpyrrolidine hydrochloride
PC101276-012,2-Difluorocyclohexanamine hydrochloride
PC1007791-012,2-Difluoromorpholine hydrochloride
OR27177-012,2-Dimethylpropanamidine hydrochloride
PC1007617-012,2-Difluorocyclobutanamine hydrochloride
PC9057-012,2-Difluoropropylamine hydrochloride
OR94450-012,2-Dimethylmorpholine hydrochloride
PC9627-012,2-Difluoroethylamine hydrochloride

Alternative Products

CatalogName
HY-100013C-012-PCCA (hydrochloride)
MBS58223252-PCCA hydrochloride
MBS3846082-01(1R, 2R)-2-PCCA (hydrochloride)
MBS5754176(1R,2R)-2-PCCA(hydrochloride)
M33183-01(1R,2R) -2-PCCA hydrochloride
HY-100013A1-01(1R,2R) -2-PCCA (hydrochloride)
HY-100013B1-01(1S,2S) -2-PCCA (hydrochloride)
A21655-25(1R,2R) -2-PCCA (hydrochloride) 25mg
A21655-5(1R,2R) -2-PCCA (hydrochloride) 5mg
A21655-2(1R,2R) -2-PCCA (hydrochloride) 2mg

Popular Products