Home Carboxys benzyl 3-cyanopiperazine-1-carboxylate

benzyl 3-cyanopiperazine-1-carboxylate

CAS No.:
1071827-03-6
Catalog Number:
AG009279
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
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Product Description
Catalog Number:
AG009279
Chemical Name:
benzyl 3-cyanopiperazine-1-carboxylate
CAS Number:
1071827-03-6
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD18642574
IUPAC Name:
benzyl 3-cyanopiperazine-1-carboxylate
InChI:
InChI=1S/C13H15N3O2/c14-8-12-9-16(7-6-15-12)13(17)18-10-11-4-2-1-3-5-11/h1-5,12,15H,6-7,9-10H2
InChI Key:
LDFKVLLZTZZDMJ-UHFFFAOYSA-N
SMILES:
N#CC1NCCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties