3-Chloro-N-ethylbenzylamine - CAS 39180-82-0

Catalog:	BB023866
Product Name:	3-Chloro-N-ethylbenzylamine
CAS:	39180-82-0
Synonyms:	N-[(3-chlorophenyl)methyl]ethanamine; N-[(3-chlorophenyl)methyl]ethanamine

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	N-[(3-chlorophenyl)methyl]ethanamine
Description:	3-Chloro-N-ethylbenzylamine (CAS# 39180-82-0) is a useful research chemical.
Molecular Weight:	169.65
Molecular Formula:	C9H12ClN
Canonical SMILES:	CCNCC1=CC(=CC=C1)Cl
InChI:	InChI=1S/C9H12ClN/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6,11H,2,7H2,1H3
InChI Key:	KHDVRWXQCOMYKQ-UHFFFAOYSA-N
Boiling Point:	226.7 °C at 760 mmHg
Density:	1.063 g/cm³
MDL:	MFCD00045195
LogP:	2.84040

Publication Number	Title	Priority Date
WO-2020247540-A1	Adenosine analogs for the treatment of disease	20190603
US-2017298090-A1	Modulators of ROR-gamma Receptors, Composition and Use Thereof	20160408
US-2017305924-A1	Nargenicin compounds and uses thereof as antibacterial agents	20141022
US-2018186808-A1	Nargenicin compounds and uses thereof as antibacterial agents	20141022
US-9944654-B2	Nargenicin compounds and uses thereof as antibacterial agents	20141022

PMID	Publication Date	Title	Journal
6433022	19840901	Benzylamines: synthesis and evaluation of antimycobacterial properties	Journal of medicinal chemistry

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Related Functional Groups

Amines and Anilines

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(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
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Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.0658271
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.0658271
Rotatable Bond Count:	3
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6