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1246550-14-0 | 2-Piperazinecarboxylic acid, 1-methyl-, hydrochloride (1:2)
CAS No: 1246550-14-0 Catalog No: AG000MJC MDL No:MFCD06801080
Product Description
Catalog Number:
AG000MJC
Chemical Name:
2-Piperazinecarboxylic acid, 1-methyl-, hydrochloride (1:2)
CAS Number:
1246550-14-0
Molecular Formula:
C6H14Cl2N2O2
Molecular Weight:
217.0936
MDL Number:
MFCD06801080
IUPAC Name:
1-methylpiperazine-2-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C6H12N2O2.2ClH/c1-8-3-2-7-4-5(8)6(9)10;;/h5,7H,2-4H2,1H3,(H,9,10);2*1H
InChI Key:
DSADJSWCEFUWHA-UHFFFAOYSA-N
SMILES:
CN1CCNCC1C(=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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