2-(3-Aminopropylamino)ethanol - CAS 4461-39-6

Name: 2-(3-Aminopropylamino)ethanol
Brand: BOC Sciences
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Technical Data

IUPAC Name:	2-(3-aminopropylamino)ethanol
Description:	2-(3-Aminopropylamino)ethanol (CAS# 4461-39-6) is the hydroxy analogue of WR-1065 (A576820), a metabolite of Amifostine (A576810). Amifostine is an organic thiophosphate that has the ability to protect a broad range of tissues from cytotoxicity (e.g. from chemotherapeutic agents) without inducing an antitumour response. 2-(3-Aminopropylamino)ethanol is also used as an nucleophilic tag in the detection of human butyrylcholinesterase adducts.
Molecular Weight:	118.18
Molecular Formula:	C5H14N2O
Canonical SMILES:	C(CN)CNCCO
InChI:	InChI=1S/C5H14N2O/c6-2-1-3-7-4-5-8/h7-8H,1-6H2
InChI Key:	GHKSKVKCKMGRDU-UHFFFAOYSA-N
Boiling Point:	255 °C
Melting Point:	15-19 °C
Flash Point:	152°C
Purity:	95 %
Density:	1.0074 g/cm³
Appearance:	Clear, colorless liquid.
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.
MDL:	MFCD00025617
LogP:	0.00830
Refractive Index:	1.484-1.487
Stability:	Stable under normal temperatures and pressures.

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22228998	20110101	Synthetic poly(ester amine) and poly(amido amine) nanoparticles for efficient DNA and siRNA delivery to human endothelial cells	International journal of nanomedicine
20061181	20100301	Charge-transfer complexes of 4-nitrocatechol with some amino alcohols	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
20056576	20100101	Mass spectrometric analyses of organophosphate insecticide oxon protein adducts	Environmental health perspectives
16970345	20060915	Verification of exposure to organophosphates: Generic mass spectrometric method for detection of human butyrylcholinesterase adducts	Analytical chemistry
11246218	20010101	Structure-activity analysis of the potentiation by aminothiols of the chromosome-damaging effect of bleomycin in G0 human lymphocytes	Environmental and molecular mutagenesis

Complexity:	41.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.110613074
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	118.110613074
Rotatable Bond Count:	5
Topological Polar Surface Area:	58.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.5