Home Carbonyls [tert-Butoxycarbonylimino(piperazin-1-yl)methyl]carbamic acid tert-butyl ester

[tert-Butoxycarbonylimino(piperazin-1-yl)methyl]carbamic acid tert-butyl ester

CAS No.:
203258-20-2
Catalog Number:
AG00BF5A
Molecular Formula:
C15H28N4O4
Molecular Weight:
328.4072
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Product Description
Catalog Number:
AG00BF5A
Chemical Name:
[tert-Butoxycarbonylimino(piperazin-1-yl)methyl]carbamic acid tert-butyl ester
CAS Number:
203258-20-2
Molecular Formula:
C15H28N4O4
Molecular Weight:
328.4072
MDL Number:
MFCD28399156
IUPAC Name:
tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperazin-1-ylmethylidene]carbamate
InChI:
InChI=1S/C15H28N4O4/c1-14(2,3)22-12(20)17-11(19-9-7-16-8-10-19)18-13(21)23-15(4,5)6/h16H,7-10H2,1-6H3,(H,17,18,20,21)
InChI Key:
CKYQABRWQRJLCT-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N/C(=N\C(=O)OC(C)(C)C)/N1CCNCC1
Properties
Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.211g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
328.413g/mol
Monoisotopic Mass:
328.211g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.1  
Properties