1-Methyloctahydropyrrolo[3,2-c]pyridine - CAS 138021-99-5

Name: 1-Methyloctahydropyrrolo[3,2-c]pyridine
Brand: BOC Sciences
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Catalog:	BB008698
Product Name:	1-Methyloctahydropyrrolo[3,2-c]pyridine
CAS:	138021-99-5
Synonyms:	1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine; 1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
Description:	1-Methyloctahydropyrrolo[3,2-c]pyridine (CAS# 138021-99-5) is a useful research chemical.
Molecular Weight:	140.23
Molecular Formula:	C8H16N2
Canonical SMILES:	CN1CCC2C1CCNC2
InChI:	InChI=1S/C8H16N2/c1-10-5-3-7-6-9-4-2-8(7)10/h7-9H,2-6H2,1H3
InChI Key:	APQINZAHFHXIRJ-UHFFFAOYSA-N
LogP:	0.56670

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Related Functional Groups

Azaindoles

[55052-28-3]C7H5ClN2
4-Chloro-7-azaindole
[346599-62-0]C7H5ClN2O
4-chloro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one
[1260671-83-7]C7H5ClN2O
4-chloro-1H,2H,3H-pyrrolo[2,3-c]pyridin-2-one
[148760-75-2]C12H14N2O2
Tert-Butyl 1H-pyrrolo[3,2-c]pyridine-1-carboxylate
[1427475-19-1]C19H24N2O2
1-Boc-5-benzyl-4,5,6,7-tetrahydro-5-azaindole
[860362-26-1]C8H8N2
4-Methyl-1H-pyrrolo[3,2-c]pyridine

GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

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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:	0.4