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1198178-56-1

1198178-56-1 | 1-Piperazinepropanoic acid, α,α-dimethyl-, methyl ester, hydrochloride (1:2)

CAS No: 1198178-56-1 Catalog No: AG000PPQ MDL No:

Product Description

Catalog Number:
AG000PPQ
Chemical Name:
1-Piperazinepropanoic acid, α,α-dimethyl-, methyl ester, hydrochloride (1:2)
CAS Number:
1198178-56-1
Molecular Formula:
C10H22Cl2N2O2
Molecular Weight:
273.1999
IUPAC Name:
methyl 2,2-dimethyl-3-piperazin-1-ylpropanoate;dihydrochloride
InChI:
InChI=1S/C10H20N2O2.2ClH/c1-10(2,9(13)14-3)8-12-6-4-11-5-7-12;;/h11H,4-8H2,1-3H3;2*1H
InChI Key:
JBGLUXPMWADOJT-UHFFFAOYSA-N
SMILES:
COC(=O)C(CN1CCNCC1)(C)C.Cl.Cl

Properties

Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.106g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
273.198g/mol
Monoisotopic Mass:
272.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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