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116882-77-0 | 1-Piperazinecarboxamide, 4-[2-[(aminocarbonyl)amino]ethyl]-
CAS No: 116882-77-0 Catalog No: AG000DBZ MDL No:
Product Description
Catalog Number:
AG000DBZ
Chemical Name:
1-Piperazinecarboxamide, 4-[2-[(aminocarbonyl)amino]ethyl]-
CAS Number:
116882-77-0
Molecular Formula:
C8H17N5O2
Molecular Weight:
215.2529
IUPAC Name:
4-[2-(carbamoylamino)ethyl]piperazine-1-carboxamide
InChI:
InChI=1S/C8H17N5O2/c9-7(14)11-1-2-12-3-5-13(6-4-12)8(10)15/h1-6H2,(H2,10,15)(H3,9,11,14)
InChI Key:
VROWVQAQCMMUIK-UHFFFAOYSA-N
SMILES:
NC(=O)NCCN1CCN(CC1)C(=O)N
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.138g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.257g/mol
Monoisotopic Mass:
215.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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