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132917-41-0 | 1-Piperazineacetic acid, α,4-dimethyl-, methyl ester
CAS No: 132917-41-0 Catalog No: AG0011E0 MDL No:
Product Description
Catalog Number:
AG0011E0
Chemical Name:
1-Piperazineacetic acid, α,4-dimethyl-, methyl ester
CAS Number:
132917-41-0
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
IUPAC Name:
methyl 2-(4-methylpiperazin-1-yl)propanoate
InChI:
InChI=1S/C9H18N2O2/c1-8(9(12)13-3)11-6-4-10(2)5-7-11/h8H,4-7H2,1-3H3
InChI Key:
WREPJBHFBCABIW-UHFFFAOYSA-N
SMILES:
COC(=O)C(N1CCN(CC1)C)C
Properties
Complexity:
177
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.255g/mol
Monoisotopic Mass:
186.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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