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114649-94-4 | 1-Piperazinecarboxylic acid, 3,4-dimethyl-, ethyl ester
CAS No: 114649-94-4 Catalog No: AG000EY0 MDL No:MFCD20366048
Product Description
Catalog Number:
AG000EY0
Chemical Name:
1-Piperazinecarboxylic acid, 3,4-dimethyl-, ethyl ester
CAS Number:
114649-94-4
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
MDL Number:
MFCD20366048
IUPAC Name:
ethyl 3,4-dimethylpiperazine-1-carboxylate
InChI:
InChI=1S/C9H18N2O2/c1-4-13-9(12)11-6-5-10(3)8(2)7-11/h8H,4-7H2,1-3H3
InChI Key:
IXLVOZIBVBLLPN-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCN(C(C1)C)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.255g/mol
Monoisotopic Mass:
186.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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