Name: Name:1-Piperazinecarboxylic acid, 4-(2-cyano-4-nitrophenyl)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG002WNV
Rating: 90 (10 reviews)

1-Piperazinecarboxylic acid, 4-(2-cyano-4-nitrophenyl)-, 1,1-dimethylethyl ester

CAS No.:

288251-87-6

Catalog Number:

AG002WNV

Molecular Formula:

C16H20N4O4

Molecular Weight:

332.3544

Catalog Number:

AG002WNV

Chemical Name:

1-Piperazinecarboxylic acid, 4-(2-cyano-4-nitrophenyl)-, 1,1-dimethylethyl ester

CAS Number:

288251-87-6

Molecular Formula:

C16H20N4O4

Molecular Weight:

332.3544

MDL Number:

MFCD26383922

IUPAC Name:

tert-butyl 4-(2-cyano-4-nitrophenyl)piperazine-1-carboxylate

InChI:

InChI=1S/C16H20N4O4/c1-16(2,3)24-15(21)19-8-6-18(7-9-19)14-5-4-13(20(22)23)10-12(14)11-17/h4-5,10H,6-9H2,1-3H3

InChI Key:

GGHJQNYGQBUGMG-UHFFFAOYSA-N

SMILES:

N#Cc1cc(ccc1N1CCN(CC1)C(=O)OC(C)(C)C)[N+](=O)[O-]

Complexity:

522

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

332.148g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

332.36g/mol

Monoisotopic Mass:

332.148g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3