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1233955-69-5 | tert-Butyl 4-(3-methylureido)piperidine-1-carboxylate
CAS No: 1233955-69-5 Catalog No: AG01F875 MDL No:
Product Description
Catalog Number:
AG01F875
Chemical Name:
tert-Butyl 4-(3-methylureido)piperidine-1-carboxylate
CAS Number:
1233955-69-5
Molecular Formula:
C12H23N3O3
Molecular Weight:
257.3293
IUPAC Name:
tert-butyl 4-(methylcarbamoylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)15-7-5-9(6-8-15)14-10(16)13-4/h9H,5-8H2,1-4H3,(H2,13,14,16)
InChI Key:
SINHKVHBWLTXJX-UHFFFAOYSA-N
SMILES:
CNC(=O)NC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.174g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.334g/mol
Monoisotopic Mass:
257.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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