CAS 101395-71-5 | 1H-Pyrazole-1-ethanamine | CAS Number 101395-71-5

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101395-71-5 | 1H-Pyrazole-1-ethanamine

CAS No: 101395-71-5 Catalog No: AG0004EB MDL No:MFCD03727230

Product Description

Catalog Number:

AG0004EB

Chemical Name:

1H-Pyrazole-1-ethanamine

CAS Number:

101395-71-5

Molecular Formula:

C5H9N3

Molecular Weight:

111.1451

MDL Number:

MFCD03727230

IUPAC Name:

2-pyrazol-1-ylethanamine

InChI:

InChI=1S/C5H9N3/c6-2-5-8-4-1-3-7-8/h1,3-4H,2,5-6H2

InChI Key:

UIWDESVQLUNCRV-UHFFFAOYSA-N

SMILES:

NCCn1cccn1

Properties

Complexity:

64.7

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

111.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

111.148g/mol

Monoisotopic Mass:

111.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.4

Literature

Title	Journal
Constructor graph description of the hydrogen-bonding supramolecular assembly in two ionic compounds: 2-(pyrazol-1-yl)ethylammonium chloride and diaquadichloridobis(2-hydroxyethylammonium)cobalt(II) dichloride.	Acta crystallographica. Section C, Crystal structure communications 20100401
2-(1H-Imidazol-4-yl)ethanamine and 2-(1H-pyrazol-1-yl)ethanamine side chain variants of the IGF-1R inhibitor BMS-536924.	Bioorganic & medicinal chemistry letters 20080301