1-(2,2-Difluoroethyl)-1H-1,2,4-triazol-3-amine - CAS 937602-83-0

Catalog:	BB047501
Product Name:	1-(2,2-Difluoroethyl)-1H-1,2,4-triazol-3-amine
CAS:	937602-83-0
Synonyms:	1-(2,2-difluoroethyl)-1,2,4-triazole-3-ylamine

Technical Data

Computed Properties

IUPAC Name:	1-(2,2-difluoroethyl)-1,2,4-triazol-3-amine
Description:	1-(2,2-Difluoroethyl)-1H-1,2,4-triazol-3-amine (CAS# 937602-83-0 ) is a useful research chemical.
Molecular Weight:	148.11
Molecular Formula:	C4H6F2N4
Canonical SMILES:	C1=NC(=NN1CC(F)F)N
InChI:	InChI=1S/C4H6F2N4/c5-3(6)1-10-2-8-4(7)9-10/h2-3H,1H2,(H2,7,9)
InChI Key:	JNIVULMEIXEDDD-UHFFFAOYSA-N
Boiling Point:	295.6±50.0 °C at 760 mmHg
Density:	1.62±0.1 g/cm³

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Complexity:	109
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.05605253
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.05605253
Rotatable Bond Count:	2
Topological Polar Surface Area:	56.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2