Home Carboxys tert-Butyl 2-cyanopiperazine-1-carboxylate oxalate(2:1)

tert-Butyl 2-cyanopiperazine-1-carboxylate oxalate(2:1)

CAS No.:
1523617-98-2
Catalog Number:
AG00HY10
Molecular Formula:
C22H36N6O8
Molecular Weight:
512.5566
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Product Description
Catalog Number:
AG00HY10
Chemical Name:
tert-Butyl 2-cyanopiperazine-1-carboxylate oxalate(2:1)
CAS Number:
1523617-98-2
Molecular Formula:
C22H36N6O8
Molecular Weight:
512.5566
IUPAC Name:
tert-butyl 2-cyanopiperazine-1-carboxylate;oxalic acid
InChI:
InChI=1S/2C10H17N3O2.C2H2O4/c2*1-10(2,3)15-9(14)13-5-4-12-7-8(13)6-11;3-1(4)2(5)6/h2*8,12H,4-5,7H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
AOFXCSGQRJPFEH-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.N#CC1CNCCN1C(=O)OC(C)(C)C.N#CC1CNCCN1C(=O)OC(C)(C)C
Properties
Complexity:
358  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.259g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
512.564g/mol
Monoisotopic Mass:
512.259g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
205A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties