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1174064-55-1 | 2-Piperazinecarboxylic acid, 1,4-dimethyl-, hydrochloride (1:2)
CAS No: 1174064-55-1 Catalog No: AG000E8X MDL No:MFCD13151977
Product Description
Catalog Number:
AG000E8X
Chemical Name:
2-Piperazinecarboxylic acid, 1,4-dimethyl-, hydrochloride (1:2)
CAS Number:
1174064-55-1
Molecular Formula:
C7H16Cl2N2O2
Molecular Weight:
231.1201
MDL Number:
MFCD13151977
IUPAC Name:
1,4-dimethylpiperazine-2-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C7H14N2O2.2ClH/c1-8-3-4-9(2)6(5-8)7(10)11;;/h6H,3-5H2,1-2H3,(H,10,11);2*1H
InChI Key:
UPJQXMOMHHDOSZ-UHFFFAOYSA-N
SMILES:
CN1CCN(C(C1)C(=O)O)C.Cl.Cl
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.117g/mol
Monoisotopic Mass:
230.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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