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2-(Aminomethyl)-5-methyl-1,3,4-oxadiazole Hydrochloride

2-(Aminomethyl)-5-methyl-1,3,4-oxadiazole Hydrochloride - CAS 1172088-56-0

Catalog:	BB003905
Product Name:	2-(Aminomethyl)-5-methyl-1,3,4-oxadiazole Hydrochloride
CAS:	1172088-56-0
Synonyms:	(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride; (5-methyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	(5-methyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
Description:	2-(Aminomethyl)-5-methyl-1,3,4-oxadiazole Hydrochloride (CAS# 1172088-56-0) is a useful research chemical.
Molecular Weight:	149.58
Molecular Formula:	C4H8ClN3O
Canonical SMILES:	CC1=NN=C(O1)CN.Cl
InChI:	InChI=1S/C4H7N3O.ClH/c1-3-6-7-4(2-5)8-3;/h2,5H2,1H3;1H
InChI Key:	QXUKUCKOYMDDRY-UHFFFAOYSA-N
LogP:	1.38150

Publication Number	Title	Priority Date
CN-111936496-A	Use of 4- (1H-imidazol-5-yl) -1H-pyrrolo [2,3-B ] pyridine for the treatment of leukemias, lymphomas and solid tumors	20180329
US-2021040086-A1	4-(1h- imidazol- 5- yl) -1h-pyrrolo [2, 3-b] pyridines for use in the treatment of leukaemias, lymphomas and solid tumors	20180329
JP-2021517157-A	4- (1H-imidazol-5-yl) -1H-pyrrolo [2,3-b] pyridine for use in the treatment of leukemia, lymphoma and solid tumors	20180329
BR-112019017058-A2	compounds such as pde1 inhibitors, pharmaceutical composition and use thereof	20171220
BR-112019017171-A2	1h-pyrazolo [4,3-b] pde1-inhibiting pyridines, pharmaceutical composition and use thereof	20171220

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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:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.0355896
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	149.0355896
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0