Home Aminos tert-Butyl [2-(4-amino-1H-pyrazol-1-yl)ethyl]carbamate oxalate

tert-Butyl [2-(4-amino-1H-pyrazol-1-yl)ethyl]carbamate oxalate

CAS No.:
1965304-61-3
Catalog Number:
AG003AN8
Molecular Formula:
C12H20N4O6
Molecular Weight:
316.3104
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Product Description
Catalog Number:
AG003AN8
Chemical Name:
tert-Butyl [2-(4-amino-1H-pyrazol-1-yl)ethyl]carbamate oxalate
CAS Number:
1965304-61-3
Molecular Formula:
C12H20N4O6
Molecular Weight:
316.3104
MDL Number:
MFCD27756608
IUPAC Name:
tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate;oxalic acid
InChI:
InChI=1S/C10H18N4O2.C2H2O4/c1-10(2,3)16-9(15)12-4-5-14-7-8(11)6-13-14;3-1(4)2(5)6/h6-7H,4-5,11H2,1-3H3,(H,12,15);(H,3,4)(H,5,6)
InChI Key:
VQOTXRDCJXLTAE-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.O=C(OC(C)(C)C)NCCn1ncc(c1)N
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.138g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
316.314g/mol
Monoisotopic Mass:
316.138g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties