3-(4-Methyl-1-piperazinyl)-1-butanamine - CAS 4553-30-4

Name: 3-(4-Methyl-1-piperazinyl)-1-butanamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025920
Product Name:	3-(4-Methyl-1-piperazinyl)-1-butanamine
CAS:	4553-30-4
Synonyms:	3-(4-methylpiperazin-1-yl)butan-1-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(4-methylpiperazin-1-yl)butan-1-amine
Description:	3-(4-Methyl-1-piperazinyl)-1-butanamine (CAS# 4553-30-4) is a useful research chemical.
Molecular Weight:	171.28
Molecular Formula:	C9H21N3
Canonical SMILES:	CC(CCN)N1CCN(CC1)C
InChI:	InChI=1S/C9H21N3/c1-9(3-4-10)12-7-5-11(2)6-8-12/h9H,3-8,10H2,1-2H3
InChI Key:	GHMGCKSGDXYVEE-UHFFFAOYSA-N
Boiling Point:	239.6 °C at 760 mmHg
Density:	0.947 g/cm³
MDL:	MFCD09864561
LogP:	0.54720

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Related Functional Groups

Piperazines

[5896-75-3]C20H25N3O3
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[1423024-26-3]C6H17Cl3N6
N''-(piperazine-1-carboximidoyl)guanidine trihydrochloride
[84477-72-5]C6H14N2
2,2-Dimethylpiperazine
[1303889-86-2]C13H25N3O3
tert-butyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate
[475272-55-0]C16H24N2O2
(S)-1-Boc-3-benzyl-piperazine
[1403898-64-5]C11H22N2O3
(2R,5R)-tert-Butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate

Publication Number	Title	Priority Date
AU-2011282588-A1	Quinoline derivatives and MELK inhibitors containing the same	20100730
AU-2011282588-B2	Quinoline derivatives and MELK inhibitors containing the same	20100730
CA-2806332-A1	Quinoline derivatives and melk inhibitors containing the same	20100730
DK-2597955-T3	Quinoline derivatives and milk inhibitors containing these	20100730
EP-2597955-B1	Quinoline derivatives and melk inhibitors containing the same	20100730

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.173547683
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.173547683
Rotatable Bond Count:	3
Topological Polar Surface Area:	32.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1