2-(4-Methyl-1-piperazinyl)-1-butanamine - CAS 953739-57-6

Catalog:	BB041694
Product Name:	2-(4-Methyl-1-piperazinyl)-1-butanamine
CAS:	953739-57-6
Synonyms:	2-(4-methylpiperazin-1-yl)butan-1-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4-methylpiperazin-1-yl)butan-1-amine
Description:	2-(4-Methyl-1-piperazinyl)-1-butanamine (CAS# 953739-57-6) is a useful research chemical.
Molecular Weight:	171.28
Molecular Formula:	C9H21N3
Canonical SMILES:	CCC(CN)N1CCN(CC1)C
InChI:	InChI=1S/C9H21N3/c1-3-9(8-10)12-6-4-11(2)5-7-12/h9H,3-8,10H2,1-2H3
InChI Key:	IOUVVJBTUSNJTA-UHFFFAOYSA-N
Boiling Point:	237.3 °C at 760 mmHg
Density:	0.947 g/cm³
MDL:	MFCD09729869
LogP:	0.54720

Publication Number	Title	Priority Date
WO-2021197950-A1	Composition for copper bump electrodeposition comprising a polyaminoamide type leveling agent	20200403
AU-2007316417-A1	Imidazo[1,2-b]pyridazine and pyrazolo[1,5-a]pyrimidine derivatives and their use as protein kinase inhibitors	20061106
AU-2007316417-B2	Imidazo[1,2-b]pyridazine and pyrazolo[1,5-a]pyrimidine derivatives and their use as protein kinase inhibitors	20061106
BR-PI0718029-A2	IMIDAZO (1,2-B) PYRIDAZINE AND PIRAZOLE (1,5-A) PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS	20061106
CA-2667487-C	Imidazo[1,2-b]pyridazine and pyrazolo[1,5-a]pyrimidine derivatives and their use as protein kinase inhibitors	20061106

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[120-43-4]
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[243128-46-3]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

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