1-Boc-4-(5-nitro-2-pyridyl)piperazine - CAS 193902-78-2

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

Catalog:	BB015022
Product Name:	1-Boc-4-(5-nitro-2-pyridyl)piperazine
CAS:	193902-78-2
Synonyms:	tert-butyl 4-(5-nitropyridin-2-yl)piperazine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl 4-(5-nitropyridin-2-yl)piperazine-1-carboxylate
Description:	1-Boc-4-(5-nitro-2-pyridyl)piperazine (CAS# 193902-78-2) is a useful research chemical.
Molecular Weight:	308.33
Molecular Formula:	C14H20N4O4
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)12-5-4-11(10-15-12)18(20)21/h4-5,10H,6-9H2,1-3H3
InChI Key:	WWFJYZONBJARJT-UHFFFAOYSA-N
Boiling Point:	468.7 °C at 760 mmHg
Melting Point:	168-172 °C (lit.)
Purity:	95 %
Density:	1.258 g/cm³
LogP:	2.57300

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501
Signal Word:	Danger

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Complexity:	410
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	308.14845513
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	308.14845513
Rotatable Bond Count:	3
Topological Polar Surface Area:	91.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8