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4-(Aminomethyl)tetrahydro-2H-pyran-4-carbonitrile

4-(Aminomethyl)tetrahydro-2H-pyran-4-carbonitrile - CAS 1263374-32-8

Catalog:	BB054959
Product Name:	4-(Aminomethyl)tetrahydro-2H-pyran-4-carbonitrile
CAS:	1263374-32-8
Synonyms:	4-(aminomethyl)tetrahydro-2H-pyran-4-carbonitrile; 4-(aminomethyl)oxane-4-carbonitrile; 2H-Pyran-4-carbonitrile, 4-(aminomethyl)tetrahydro-; 4-(Aminomethy)oxane-4-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	4-(aminomethyl)oxane-4-carbonitrile
Molecular Weight:	140.18
Molecular Formula:	C7H12N2O
Canonical SMILES:	C1COCCC1(CN)C#N
InChI:	InChI=1S/C7H12N2O/c8-5-7(6-9)1-3-10-4-2-7/h1-5,8H2
InChI Key:	WRAFVYHNHMNOCQ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-2015299149-B2	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
CA-2957046-A1	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
EP-3177612-A1	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
JP-2017523193-A	Compounds active against nuclear receptors	20140804
JP-2020023534-A	Compounds active on nuclear receptors	20140804
JP-6604664-B2	Compounds active against nuclear receptors	20140804
RU-2719422-C2	Optionally condensed heterocyclyl-substituted pyrimidine derivatives suitable for treating inflammatory, metabolic, oncological and autoimmune diseases	20140804
US-10683293-B2	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
US-10689383-B2	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
US-2017327503-A1	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.094963011
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.094963011
Rotatable Bond Count:	1
Topological Polar Surface Area:	59Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8