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129798-91-0 | 2-Piperazinecarboxylic acid, ethyl ester, hydrochloride (1:2)
CAS No: 129798-91-0 Catalog No: AG000TP5 MDL No:MFCD22381964
Product Description
Catalog Number:
AG000TP5
Chemical Name:
2-Piperazinecarboxylic acid, ethyl ester, hydrochloride (1:2)
CAS Number:
129798-91-0
Molecular Formula:
C7H16Cl2N2O2
Molecular Weight:
231.1201
MDL Number:
MFCD22381964
IUPAC Name:
ethyl piperazine-2-carboxylate;dihydrochloride
InChI:
InChI=1S/C7H14N2O2.2ClH/c1-2-11-7(10)6-5-8-3-4-9-6;;/h6,8-9H,2-5H2,1H3;2*1H
InChI Key:
XUILSFCCCIHPIE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1NCCNC1.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:
230.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
231.117g/mol
Monoisotopic Mass:
230.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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