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75944-99-9 | 4-Methylpiperazine-2-carboxylic acid dihydrochloride
CAS No: 75944-99-9 Catalog No: AG005H2G MDL No:MFCD06658485
Product Description
Catalog Number:
AG005H2G
Chemical Name:
4-Methylpiperazine-2-carboxylic acid dihydrochloride
CAS Number:
75944-99-9
Molecular Formula:
C6H14Cl2N2O2
Molecular Weight:
217.0936
MDL Number:
MFCD06658485
IUPAC Name:
4-methylpiperazine-2-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C6H12N2O2.2ClH/c1-8-3-2-7-5(4-8)6(9)10;;/h5,7H,2-4H2,1H3,(H,9,10);2*1H
InChI Key:
NXIVGAYIUBHNQC-UHFFFAOYSA-N
SMILES:
CN1CCNC(C1)C(=O)O.Cl.Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
217.09g/mol
Monoisotopic Mass:
216.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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