Home Other Building Blocks 2-(3-methylphenyl)-2-(piperazin-1-yl)acetic acid dihydrochloride

2-(3-methylphenyl)-2-(piperazin-1-yl)acetic acid dihydrochloride

CAS No.:
1306602-91-4
Catalog Number:
AG01AHWT
Molecular Formula:
C13H20Cl2N2O2
Molecular Weight:
307.2161
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Product Description
Catalog Number:
AG01AHWT
Chemical Name:
2-(3-methylphenyl)-2-(piperazin-1-yl)acetic acid dihydrochloride
CAS Number:
1306602-91-4
Molecular Formula:
C13H20Cl2N2O2
Molecular Weight:
307.2161
MDL Number:
MFCD18838739
IUPAC Name:
2-(3-methylphenyl)-2-piperazin-1-ylacetic acid;dihydrochloride
InChI:
InChI=1S/C13H18N2O2.2ClH/c1-10-3-2-4-11(9-10)12(13(16)17)15-7-5-14-6-8-15;;/h2-4,9,12,14H,5-8H2,1H3,(H,16,17);2*1H
InChI Key:
KGOPEJAFHAITJI-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cccc(c1)C)N1CCNCC1.Cl.Cl
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.09g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
307.215g/mol
Monoisotopic Mass:
306.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties