1-Methyl-4-(4-nitrobenzyl)piperazine - CAS 70261-81-3

Catalog:	BB034113
Product Name:	1-Methyl-4-(4-nitrobenzyl)piperazine
CAS:	70261-81-3
Synonyms:	1-methyl-4-[(4-nitrophenyl)methyl]piperazine; 1-methyl-4-[(4-nitrophenyl)methyl]piperazine

Technical Data

Patents

Computed Properties

IUPAC Name:	1-methyl-4-[(4-nitrophenyl)methyl]piperazine
Description:	1-Methyl-4-(4-nitrobenzyl)piperazine (CAS# 70261-81-3) is a useful research chemical.
Molecular Weight:	235.28
Molecular Formula:	C12H17N3O2
Canonical SMILES:	CN1CCN(CC1)CC2=CC=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C12H17N3O2/c1-13-6-8-14(9-7-13)10-11-2-4-12(5-3-11)15(16)17/h2-5H,6-10H2,1H3
InChI Key:	TZZWNVPIAQKNTG-UHFFFAOYSA-N
Boiling Point:	358.2 °C at 760 mmHg
MDL:	MFCD00976866
LogP:	1.74120

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Related Functional Groups

Piperazines

[25629-32-7]
(3-Oxopiperazin-1-yl)acetic acid
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1217482-26-2]
(R)-piperazin-2-ylmethanol dihydrochloride
[1191255-65-8]
Ethyl [4-(3,3,3-trifluoropropyl)piperazin-1-yl]acetate
[243128-46-3]
1-(4-Fluoro-2-nitrophenyl)piperazine
[84477-72-5]
2,2-Dimethylpiperazine

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.132076794
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	235.132076794
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4