Home Carboxys benzyl 2,5-diethylpiperazine-1-carboxylate hydrochloride

benzyl 2,5-diethylpiperazine-1-carboxylate hydrochloride

CAS No.:
1333839-80-7
Catalog Number:
AG01AKFB
Molecular Formula:
C16H25ClN2O2
Molecular Weight:
312.8349
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Product Description
Catalog Number:
AG01AKFB
Chemical Name:
benzyl 2,5-diethylpiperazine-1-carboxylate hydrochloride
CAS Number:
1333839-80-7
Molecular Formula:
C16H25ClN2O2
Molecular Weight:
312.8349
MDL Number:
MFCD19982564
IUPAC Name:
benzyl 2,5-diethylpiperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C16H24N2O2.ClH/c1-3-14-11-18(15(4-2)10-17-14)16(19)20-12-13-8-6-5-7-9-13;/h5-9,14-15,17H,3-4,10-12H2,1-2H3;1H
InChI Key:
KDWBFQOPCKXYCW-UHFFFAOYSA-N
SMILES:
CCC1CNC(CN1C(=O)OCc1ccccc1)CC.Cl
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.16g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
312.838g/mol
Monoisotopic Mass:
312.16g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties