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154476-57-0 | N,N'-Di-Boc-guanidine
CAS No: 154476-57-0 Catalog No: AG003DI4 MDL No:MFCD01863604
Product Description
Catalog Number:
AG003DI4
Chemical Name:
N,N'-Di-Boc-guanidine
CAS Number:
154476-57-0
Molecular Formula:
C11H21N3O4
Molecular Weight:
259.3021
MDL Number:
MFCD01863604
IUPAC Name:
tert-butyl (NE)-N-[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
InChI:
InChI=1S/C11H21N3O4/c1-10(2,3)17-8(15)13-7(12)14-9(16)18-11(4,5)6/h1-6H3,(H3,12,13,14,15,16)
InChI Key:
VPWFNCFRPQFWGS-UHFFFAOYSA-N
SMILES:
N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
259.153g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.306g/mol
Monoisotopic Mass:
259.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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