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tert-butyl 3-(N'-hydroxycarbamimidoyl)-4-methylpiperazine-1-carboxylate

CAS No.:
1807939-16-7
Catalog Number:
AG01BALP
Molecular Formula:
C11H22N4O3
Molecular Weight:
258.3174
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Product Description
Catalog Number:
AG01BALP
Chemical Name:
tert-butyl 3-(N'-hydroxycarbamimidoyl)-4-methylpiperazine-1-carboxylate
CAS Number:
1807939-16-7
Molecular Formula:
C11H22N4O3
Molecular Weight:
258.3174
MDL Number:
MFCD28968142
IUPAC Name:
tert-butyl 3-(N'-hydroxycarbamimidoyl)-4-methylpiperazine-1-carboxylate
InChI:
InChI=1S/C11H22N4O3/c1-11(2,3)18-10(16)15-6-5-14(4)8(7-15)9(12)13-17/h8,17H,5-7H2,1-4H3,(H2,12,13)
InChI Key:
MIUGCVJUQPEOQA-UHFFFAOYSA-N
SMILES:
ON=C(C1CN(CCN1C)C(=O)OC(C)(C)C)N
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.169g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.322g/mol
Monoisotopic Mass:
258.169g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.2  
Properties