Name: Name:tert-Butyl 4-(3-nitrobenzyl)piperazine-1-carboxylate
Brand: Angene
SKU: AG003E1I
Rating: 90 (10 reviews)

tert-Butyl 4-(3-nitrobenzyl)piperazine-1-carboxylate

CAS No.:

203047-33-0

Catalog Number:

AG003E1I

Molecular Formula:

C16H23N3O4

Molecular Weight:

321.3715

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Catalog Number:

AG003E1I

Chemical Name:

tert-Butyl 4-(3-nitrobenzyl)piperazine-1-carboxylate

CAS Number:

203047-33-0

Molecular Formula:

C16H23N3O4

Molecular Weight:

321.3715

MDL Number:

MFCD06797469

IUPAC Name:

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

InChI:

InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)18-9-7-17(8-10-18)12-13-5-4-6-14(11-13)19(21)22/h4-6,11H,7-10,12H2,1-3H3

InChI Key:

HWTWAJBOXCYPAM-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)Cc1cccc(c1)[N+](=O)[O-])OC(C)(C)C

Complexity:

422

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:

2.2