Home Carboxys 5-benzyl 1-tert-butyl 1,2,5-triazepane-1,5-dicarboxylate

5-benzyl 1-tert-butyl 1,2,5-triazepane-1,5-dicarboxylate

CAS No.:
1138150-98-7
Catalog Number:
AG01EIRQ
Molecular Formula:
C17H25N3O4
Molecular Weight:
335.3981
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Product Description
Catalog Number:
AG01EIRQ
Chemical Name:
5-benzyl 1-tert-butyl 1,2,5-triazepane-1,5-dicarboxylate
CAS Number:
1138150-98-7
Molecular Formula:
C17H25N3O4
Molecular Weight:
335.3981
MDL Number:
MFCD31629232
IUPAC Name:
5-O-benzyl 1-O-tert-butyl 1,2,5-triazepane-1,5-dicarboxylate
InChI:
InChI=1S/C17H25N3O4/c1-17(2,3)24-16(22)20-12-11-19(10-9-18-20)15(21)23-13-14-7-5-4-6-8-14/h4-8,18H,9-13H2,1-3H3
InChI Key:
KVJUCQBYIRWJBO-UHFFFAOYSA-N
SMILES:
O=C(N1CCNN(CC1)C(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.185g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
335.404g/mol
Monoisotopic Mass:
335.185g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties