2,2,6,6-Tetramethyltetrahydropyran-4-amine - CAS 1301178-43-7

Catalog:	BB007048
Product Name:	2,2,6,6-Tetramethyltetrahydropyran-4-amine
CAS:	1301178-43-7
Synonyms:	2,2,6,6-tetramethyl-4-oxanamine; 2,2,6,6-tetramethyloxan-4-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,2,6,6-tetramethyloxan-4-amine
Description:	2,2,6,6-Tetramethyltetrahydropyran-4-amine (CAS# 1301178-43-7) is used as a reagent in the synthesis of tetramethylpiperidinyl benzamides as inhibitors of EZH2.
Molecular Weight:	157.25
Molecular Formula:	C9H19NO
Canonical SMILES:	CC1(CC(CC(O1)(C)C)N)C
InChI:	InChI=1S/C9H19NO/c1-8(2)5-7(10)6-9(3,4)11-8/h7H,5-6,10H2,1-4H3
InChI Key:	PCQWQLYLZRJDLA-UHFFFAOYSA-N
LogP:	2.38160

Publication Number	Title	Priority Date
WO-2021176049-A1	Pyrazolopyrazines acting on cancers via inhibition of cdk12	20200306
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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1824357-78-9]
2-(1-Benzyl-3-pyrazolyl)ethylamine

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.146664230
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.146664230
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9