3-(Aminomethyl)tetrahydropyran - CAS 7179-99-9

Catalog:	BB034480
Product Name:	3-(Aminomethyl)tetrahydropyran
CAS:	7179-99-9
Synonyms:	3-oxanylmethanamine; oxan-3-ylmethanamine

Technical Data

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Computed Properties

IUPAC Name:	oxan-3-ylmethanamine
Description:	3-(Aminomethyl)tetrahydropyran (CAS# 7179-99-9) is a useful research chemical.
Molecular Weight:	115.17
Molecular Formula:	C6H13NO
Canonical SMILES:	C1CC(COC1)CN
InChI:	InChI=1S/C6H13NO/c7-4-6-2-1-3-8-5-6/h6H,1-5,7H2
InChI Key:	ZTCHEOLGUZDPAN-UHFFFAOYSA-N
Boiling Point:	222.6 °C at 760 mmHg
MDL:	MFCD08448168
LogP:	1.07200

Publication Number	Title	Priority Date
WO-2021173523-A1	Hot melt extruded solid dispersions containing a bcl2 inhibitor	20200224
WO-2021066873-A1	Condensed heterocycles as bcl-2 inhibitors	20191003
KR-20210015730-A	Oxo-pyridine fused ring derivatives and pharmaceutical composition containing the same	20190802
WO-2021025407-A1	Oxo-pyridine fusion ring derivative and pharmaceutical composition comprising same	20190802
WO-2020238785-A1	Methyl- and trifluoromethyl-containing disubstituted sulfonamide selective bcl-2 inhibitor	20190524

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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:	65.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.099714038
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	115.099714038
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1