(7R,8aS)-Octahydropyrrolo[1,2-a]pyrazin-7-ol - CAS 879399-07-2

Catalog:	BB038690
Product Name:	(7R,8aS)-Octahydropyrrolo[1,2-a]pyrazin-7-ol
CAS:	879399-07-2
Synonyms:	(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol; (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol

Technical Data

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Computed Properties

IUPAC Name:	(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
Description:	(7R,8aS)-Octahydropyrrolo[1,2-a]pyrazin-7-ol (CAS# 879399-07-2) is a useful research chemical.
Molecular Weight:	142.20
Molecular Formula:	C7H14N2O
Canonical SMILES:	C1CN2CC(CC2CN1)O
InChI:	InChI=1S/C7H14N2O/c10-7-3-6-4-8-1-2-9(6)5-7/h6-8,10H,1-5H2/t6-,7+/m0/s1
InChI Key:	VLVMRQREBYGIBY-NKWVEPMBSA-N
LogP:	-0.70850

Publication Number	Title	Priority Date
US-2021106588-A1	Bicyclic heterocycles as fgfr inhibitors	20191014
WO-2021076602-A1	Bicyclic heterocycles as fgfr inhibitors	20191014
WO-2020254572-A1	Egfr inhibitors for the treatment of cancer	20190621
WO-2019118571-A1	Isoxazole analogs as fxr agonists and methods of use thereof	20171212
EP-3083573-A2	Inhibitors of the renal outer medullary potassium channel	20131218

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	142.110613074
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	142.110613074
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8