CAS 62821-88-9 | 2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethylamine | CAS Number 62821-88-9

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62821-88-9 | 2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethylamine

CAS No: 62821-88-9 Catalog No: AG0038KO MDL No:MFCD04967722

Product Description

Catalog Number:

AG0038KO

Chemical Name:

2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethylamine

CAS Number:

62821-88-9

Molecular Formula:

C7H13N3

Molecular Weight:

139.1982

MDL Number:

MFCD04967722

IUPAC Name:

2-(3,5-dimethylpyrazol-1-yl)ethanamine

InChI:

InChI=1S/C7H13N3/c1-6-5-7(2)10(9-6)4-3-8/h5H,3-4,8H2,1-2H3

InChI Key:

FXLOXQBWUPCCDL-UHFFFAOYSA-N

SMILES:

Cc1cc(nn1CCN)C

Properties

Complexity:

105

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

139.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

139.202g/mol

Monoisotopic Mass:

139.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
cis-Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl-κN(2))ethanamine-κN]palladium(II) dichloro-methane monosolvate.	Acta crystallographica. Section E, Structure reports online 20120801
{1,2-Bis[(3,5-dimethyl-1H-pyrazol-1-yl-κN)meth-yl]benzene}-dichloridozinc(II).	Acta crystallographica. Section E, Structure reports online 20111201