Dibutylamine Hydrochloride - CAS 6287-40-7

Catalog:	BB031861
Product Name:	Dibutylamine Hydrochloride
CAS:	6287-40-7
Synonyms:	N-butyl-1-butanamine;hydrochloride; N-butylbutan-1-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	N-butylbutan-1-amine;hydrochloride
Description:	Dibutylamine Hydrochloride (CAS# 6287-40-7) is a useful research chemical.
Molecular Weight:	165.70
Molecular Formula:	C8H20ClN
Canonical SMILES:	CCCCNCCCC.Cl
InChI:	InChI=1S/C8H19N.ClH/c1-3-5-7-9-8-6-4-2;/h9H,3-8H2,1-2H3;1H
InChI Key:	ODYNBECIRXXOGG-UHFFFAOYSA-N
Boiling Point:	163 °C at 760 mmHg
Density:	0.762 g/cm³
MDL:	MFCD00034885
LogP:	3.36910

Publication Number	Title	Priority Date
WO-2020224652-A1	Ubiquitin-specific protease inhibitors, and preparation method therefor and application thereof	20190509
WO-2019189944-A1	Aliphatic and/or alicyclic polyurethane urea resin and method for preparing same	20180329
US-2020392562-A1	Polymerase chain reaction composition comprising amines	20171222
EP-3174853-A1	6-amino-5,6,7,8-tetrahydronaphthalen-2-yl or 3-aminochroman-7-yl derivatives as taar modulators	20140730
EP-3174853-B1	6-amino-5,6,7,8-tetrahydronaphthalen-2-yl or 3-aminochroman-7-yl derivatives as taar modulators	20140730

PMID	Publication Date	Title	Journal
22420672	20120403	Online monitoring of molecular processes in a plasma air purifying system	Environmental science & technology
21744418	20110701	Heparin-like glycosaminoglycan/amine salt-bridge interactions: a new potential tool for HLGAGs analysis using mass spectrometry	Journal of mass spectrometry : JMS
18812390	20081101	Validation of transferability of DBA derivatization and LC-MS/MS determination method for isocyanates via an interlaboratory comparison	The Annals of occupational hygiene
18063406	20080701	Determination of aliphatic amines using fluorescence intensity of 4-methyl umbelliferone	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
17241092	20070215	Liquid chromatography quadrupole time-of-flight mass spectrometry analysis of carbosulfan, carbofuran, 3-hydroxycarbofuran, and other metabolites in food	Analytical chemistry

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GHS Hazard Statement:	H302+H312+H332 (95%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501
Signal Word:	Warning

Complexity:	37.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.1284273
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.1284273
Rotatable Bond Count:	6
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0