2-(Azepan-1-yl)ethanamine - CAS 51388-00-2

Catalog:	BB027424
Product Name:	2-(Azepan-1-yl)ethanamine
CAS:	51388-00-2
Synonyms:	2-(1-azepanyl)ethanamine; 2-(azepan-1-yl)ethanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(azepan-1-yl)ethanamine
Description:	2-(Azepan-1-yl)ethanamine (CAS# 51388-00-2) is a useful research chemical.
Molecular Weight:	142.24
Molecular Formula:	C8H18N2
Canonical SMILES:	C1CCCN(CC1)CCN
InChI:	InChI=1S/C8H18N2/c9-5-8-10-6-3-1-2-4-7-10/h1-9H2
InChI Key:	QHRBDFUMZORTQD-UHFFFAOYSA-N
Boiling Point:	211.5 °C at 760 mmHg
Density:	0.908 g/cm³
MDL:	MFCD00046120
LogP:	1.45930

Publication Number	Title	Priority Date
EP-2956451-A1	Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them	20130215
US-2015361060-A1	Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them	20130215
US-2019119237-A1	Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them	20130215
US-2019337911-A1	Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them	20130215
WO-2014127315-A1	Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them	20130215

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	75.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.146998583
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.146998583
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8