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Home Other Building Blocks DG172 dihydrochloride

DG172 dihydrochloride

CAS No.:
1361504-77-9
Catalog Number:
AG009CMB
Molecular Formula:
C20H22BrCl2N3
Molecular Weight:
455.2188
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
99%
1 week
United States
$157
- +
10mg
99%
1 week
United States
$223
- +
50mg
99%
1 week
United States
$707
- +
100mg
99%
1 week
United States
$1173
- +
Product Description
Catalog Number:
AG009CMB
Chemical Name:
DG172 dihydrochloride
CAS Number:
1361504-77-9
Molecular Formula:
C20H22BrCl2N3
Molecular Weight:
455.2188
MDL Number:
MFCD29924728
IUPAC Name:
(Z)-2-(2-bromophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enenitrile;dihydrochloride
InChI:
InChI=1S/C20H20BrN3.2ClH/c1-23-10-12-24(13-11-23)18-8-6-16(7-9-18)14-17(15-22)19-4-2-3-5-20(19)21;;/h2-9,14H,10-13H2,1H3;2*1H/b17-14+;;
InChI Key:
SABUORLIDVBCPI-WTLOABTRSA-N
SMILES:
N#C/C(=C\c1ccc(cc1)N1CCN(CC1)C)/c1ccccc1Br.Cl.Cl
Properties
Complexity:
478  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
453.037g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
455.221g/mol
Monoisotopic Mass:
453.037g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties