2-(3-Aminopropylamino)ethanol

CAS

4461-39-6

Catalog Number

ACM4461396

Category

Amino Alcohols

Molecular Weight

118.18

Molecular Formula

C5H14N2O

MSDS COA Spec Sheet

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Specification

Description

2-(3-Aminopropylamino)ethanol is the hydroxy analogue of WR-1065, a metabolite of Amifostine. 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.

Synonyms

Ethanol, 2-[(3-aminopropyl)amino]-;1,3-DIAMINO-N-(2-HYDROXYETHYL)-PROPANE;N-(2-Hydroxyethyl)-1,3-Propanediamine;

Melting Point

15-19ºC

Flash Point

152ºC

Density

1.0074

Appearance

Clear, colorless liquid

Hazard Codes

Hazard Statements

H302-H315-H318-H373-H412

HS Code

29221980

LogP

0.00830

MDL Number

MFCD00025617

PSA

58.28

Refractive Index

1.484-1.487

RIDADR

UN 2735

Stability

Stable under normal temperatures and pressures.

Storage Conditions

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.

Symbol

GHS05

WGK Germany

What is the molecular formula of 2-(3-Aminopropylamino)ethanol?

The molecular formula is C5H14N2O.

What is the molecular weight of 2-(3-Aminopropylamino)ethanol?

The molecular weight is 118.18 g/mol.

What is the IUPAC name of 2-(3-Aminopropylamino)ethanol?

The IUPAC name is 2-(3-aminopropylamino)ethanol.

What is the InChI key of 2-(3-Aminopropylamino)ethanol?

The InChI key is GHKSKVKCKMGRDU-UHFFFAOYSA-N.

What is the canonical SMILES of 2-(3-Aminopropylamino)ethanol?

The canonical SMILES is C(CN)CNCCO.

What is the CAS number of 2-(3-Aminopropylamino)ethanol?

The CAS number is 4461-39-6.

What is the XLogP3-AA value of 2-(3-Aminopropylamino)ethanol?

The XLogP3-AA value is -1.5.

How many hydrogen bond donor counts does 2-(3-Aminopropylamino)ethanol have?

It has 3 hydrogen bond donor counts.

How many rotatable bond counts does 2-(3-Aminopropylamino)ethanol have?

It has 5 rotatable bond counts.

Is 2-(3-Aminopropylamino)ethanol a canonicalized compound?

Yes, it is a canonicalized compound.