Home Other Building Blocks 2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid dihydrochloride

2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid dihydrochloride

CAS No.:
1797943-35-1
Catalog Number:
AG01AFF7
Molecular Formula:
C13H26Cl2N2O2
Molecular Weight:
313.2637
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Product Description
Catalog Number:
AG01AFF7
Chemical Name:
2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid dihydrochloride
CAS Number:
1797943-35-1
Molecular Formula:
C13H26Cl2N2O2
Molecular Weight:
313.2637
MDL Number:
MFCD27500835
IUPAC Name:
2-[1-(4-methylpiperazin-1-yl)cyclohexyl]acetic acid;dihydrochloride
InChI:
InChI=1S/C13H24N2O2.2ClH/c1-14-7-9-15(10-8-14)13(11-12(16)17)5-3-2-4-6-13;;/h2-11H2,1H3,(H,16,17);2*1H
InChI Key:
KTRGPSHTCCLCAJ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C1(CCCCC1)CC(=O)O.Cl.Cl
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.137g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
313.263g/mol
Monoisotopic Mass:
312.137g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties