1-Boc-4-(2-nitrophenyl)piperazine - CAS 170017-73-9

Name: 1-Boc-4-(2-nitrophenyl)piperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012598
Product Name:	1-Boc-4-(2-nitrophenyl)piperazine
CAS:	170017-73-9
Synonyms:	4-(2-nitrophenyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-(2-nitrophenyl)piperazine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-(2-nitrophenyl)piperazine-1-carboxylate
Description:	1-Boc-4-(2-nitrophenyl)piperazine (CAS# 170017-73-9) is a useful research chemical.
Molecular Weight:	307.34
Molecular Formula:	C15H21N3O4
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2[N+](=O)[O-]
InChI:	InChI=1S/C15H21N3O4/c1-15(2,3)22-14(19)17-10-8-16(9-11-17)12-6-4-5-7-13(12)18(20)21/h4-7H,8-11H2,1-3H3
InChI Key:	GTGIZVUOLBRDAO-UHFFFAOYSA-N
Boiling Point:	436.457 °C at 760 mmHg
Density:	1.221 g/cm³
LogP:	3.17800

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Related Functional Groups

Piperazines

[25629-32-7]C6H10N2O3
(3-Oxopiperazin-1-yl)acetic acid
[16017-53-1]C10H13ClN2O2S
1-(4-Chloro-benzenesulfonyl)-piperazine
[1191255-65-8]C11H19F3N2O2
Ethyl [4-(3,3,3-trifluoropropyl)piperazin-1-yl]acetate
[120-43-4]C7H14N2O2
Ethyl 1-piperazinecarboxylate
[104481-24-5]C10H15N3O2S
Ethyl 2-piperazin-1-yl-thiazole-4-carboxylate
[1423024-26-3]C6H17Cl3N6
N''-(piperazine-1-carboximidoyl)guanidine trihydrochloride

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Complexity:	408
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	307.15320616
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	307.15320616
Rotatable Bond Count:	3
Topological Polar Surface Area:	78.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5