1-Methyloctahydropyrrolo[1,2-a]pyrazine - CAS 155206-39-6

Catalog:	BB011100
Product Name:	1-Methyloctahydropyrrolo[1,2-a]pyrazine
CAS:	155206-39-6
Synonyms:	1-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

Technical Data

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Computed Properties

IUPAC Name:	1-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
Description:	1-Methyloctahydropyrrolo[1,2-a]pyrazine (CAS# 155206-39-6) is a useful research chemical.
Molecular Weight:	140.23
Molecular Formula:	C8H16N2
Canonical SMILES:	CC1C2CCCN2CCN1
InChI:	InChI=1S/C8H16N2/c1-7-8-3-2-5-10(8)6-4-9-7/h7-9H,2-6H2,1H3
InChI Key:	JTFHNFCIQLHQAY-UHFFFAOYSA-N
Boiling Point:	200.9 °C at 760 mmHg
Purity:	95 %
Density:	1 g/cm³
LogP:	0.70920

Publication Number	Title	Priority Date
EP-3373972-A1	Compositions for treating spinal muscular atrophy	20151112
EP-3374362-A1	Compounds for treating amyotrophic lateral sclerosis	20151112
WO-2017080967-A1	Compositions for treating spinal muscular atrophy	20151112
WO-2017081111-A1	Compounds for treating amyotrophic lateral sclerosis	20151112
US-10112948-B2	Benzamide or benzamine compounds useful as anticancer agents for the treatment of human cancers	20150706

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.131348519
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.131348519
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6