Name: Name:4-(3-Methyl-4-nitro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
Brand: Angene
SKU: AG00BX08
Rating: 90 (10 reviews)

4-(3-Methyl-4-nitro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

CAS No.:

301672-88-8

Catalog Number:

AG00BX08

Molecular Formula:

C16H23N3O4

Molecular Weight:

321.3715

Catalog Number:

AG00BX08

Chemical Name:

4-(3-Methyl-4-nitro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

CAS Number:

301672-88-8

Molecular Formula:

C16H23N3O4

Molecular Weight:

321.3715

MDL Number:

MFCD11042130

IUPAC Name:

tert-butyl 4-(3-methyl-4-nitrophenyl)piperazine-1-carboxylate

InChI:

InChI=1S/C16H23N3O4/c1-12-11-13(5-6-14(12)19(21)22)17-7-9-18(10-8-17)15(20)23-16(2,3)4/h5-6,11H,7-10H2,1-4H3

InChI Key:

DJXLXFWWETVERO-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)c1ccc(c(c1)C)[N+](=O)[O-])OC(C)(C)C

Complexity:

436

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

321.169g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

321.377g/mol

Monoisotopic Mass:

321.169g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9