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3-Fluoro-4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)aniline

3-Fluoro-4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)aniline - CAS 937597-22-3

Catalog:	BB047614
Product Name:	3-Fluoro-4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)aniline
CAS:	937597-22-3
Synonyms:	4-(3,6-diazabicyclo[4.3.0]non-3-yl)-3-fluorophenylamine

Technical Data

Computed Properties

IUPAC Name:	4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-fluoroaniline
Description:	3-Fluoro-4-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)aniline (CAS# 937597-22-3 ) is a useful research chemical.
Molecular Weight:	235.30
Molecular Formula:	C13H18FN3
Canonical SMILES:	C1CC2CN(CCN2C1)C3=C(C=C(C=C3)N)F
InChI:	InChI=1S/C13H18FN3/c14-12-8-10(15)3-4-13(12)17-7-6-16-5-1-2-11(16)9-17/h3-4,8,11H,1-2,5-7,9,15H2
InChI Key:	BYFUTAMCAMZSLX-UHFFFAOYSA-N

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Complexity:	273
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.14847575
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	235.14847575
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8