2-(4-Chloro-1H-pyrazol-1-yl)ethanamine - CAS 777056-71-0

Catalog:	BB036015
Product Name:	2-(4-Chloro-1H-pyrazol-1-yl)ethanamine
CAS:	777056-71-0
Synonyms:	2-(4-chloropyrazol-1-yl)ethanamine

Technical Data

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Computed Properties

IUPAC Name:	2-(4-chloropyrazol-1-yl)ethanamine
Description:	2-(4-Chloro-1H-pyrazol-1-yl)ethanamine (CAS# 777056-71-0) is a useful research chemical.
Molecular Weight:	145.59
Molecular Formula:	C5H8ClN3
Canonical SMILES:	C1=C(C=NN1CCN)Cl
InChI:	InChI=1S/C5H8ClN3/c6-5-3-8-9(4-5)2-1-7/h3-4H,1-2,7H2
InChI Key:	HYMUJSKLHIXUOM-UHFFFAOYSA-N
Boiling Point:	251.2 °C at 760 mmHg
Density:	1.37 g/cm³
MDL:	MFCD03422566
LogP:	1.19550

Publication Number	Title	Priority Date
AU-2017319323-A1	Biaryl compounds useful as immunomodulators	20160901
CA-3035697-A1	Biaryl compounds useful as immunomodulators	20160901
EP-3507284-A1	Biaryl compounds useful as immunomodulators	20160901
TW-201815764-A	Compound as an immunomodulator	20160901
US-10144706-B2	Compounds useful as immunomodulators	20160901

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Related Functional Groups

Pyrazoles

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[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[51355-91-0]
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[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	88.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.0406750
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.0406750
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1