Home Halogens 2-(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid dihydrochloride

2-(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid dihydrochloride

CAS No.:
130018-87-0
Catalog Number:
AG000TX3
Molecular Formula:
C21H27Cl3N2O3
Molecular Weight:
461.8097
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$63
- +
25g
98%
In Stock USA
United States
$250
- +
100g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG000TX3
Chemical Name:
2-(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid dihydrochloride
CAS Number:
130018-87-0
Molecular Formula:
C21H27Cl3N2O3
Molecular Weight:
461.8097
MDL Number:
MFCD07366507
IUPAC Name:
2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;dihydrochloride
InChI:
InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H/t21-;;/m1../s1
InChI Key:
PGLIUCLTXOYQMV-GHVWMZMZSA-N
SMILES:
OC(=O)COCCN1CCN(CC1)[C@@H](c1ccc(cc1)Cl)c1ccccc1.Cl.Cl
UNII:
SOD6A38AGA
Properties
Complexity:
443  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
460.109g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
461.808g/mol
Monoisotopic Mass:
460.109g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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