4-Aminotetrahydro-2H-pyran-4-carbonitrile - CAS 50289-12-8

Name: 4-Aminotetrahydro-2H-pyran-4-carbonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026991
Product Name:	4-Aminotetrahydro-2H-pyran-4-carbonitrile
CAS:	50289-12-8
Synonyms:	4-amino-4-oxanecarbonitrile; 4-aminooxane-4-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-aminooxane-4-carbonitrile
Description:	4-Aminotetrahydro-2H-pyran-4-carbonitrile (CAS# 50289-12-8) is a useful research chemical.
Molecular Weight:	126.16
Molecular Formula:	C6H10N2O
Canonical SMILES:	C1COCCC1(C#N)N
InChI:	InChI=1S/C6H10N2O/c7-5-6(8)1-3-9-4-2-6/h1-4,8H2
InChI Key:	RNLRIDPDRLEOSF-UHFFFAOYSA-N
Boiling Point:	260.777 °C at 760 mmHg
Purity:	95 %
Density:	1.111 g/cm³
LogP:	0.71818

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021014166-A1	Pyridine derivatives as tmem16a modulators for use in the treatment of respiratory conditions	20190724
EP-3805223-A1	2,3-dihydro-1h-pyrrolizine-7-formamide derivative and application thereof	20180525
WO-2019149657-A1	Benzyl-, (pyridin-3-yl)methyl- or (pyridin-4-yl)methyl-substituted oxadiazolopyridine derivatives as ghrelin o-acyl transferase (goat) inhibitors	20180202
WO-2019145726-A1	Compounds	20180126
AU-2019213211-A1	Compounds	20180126

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.079312947
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.079312947
Rotatable Bond Count:	0
Topological Polar Surface Area:	59 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7