(4-Methyl-2-morpholinyl)methanol - CAS 40987-46-0

Catalog:	BB024740
Product Name:	(4-Methyl-2-morpholinyl)methanol
CAS:	40987-46-0
Synonyms:	(4-methyl-2-morpholinyl)methanol; (4-methylmorpholin-2-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(4-methylmorpholin-2-yl)methanol
Description:	(4-Methyl-2-morpholinyl)methanol (CAS# 40987-46-0) is a useful research chemical.
Molecular Weight:	131.17
Molecular Formula:	C6H13NO2
Canonical SMILES:	CN1CCOC(C1)CO
InChI:	InChI=1S/C6H13NO2/c1-7-2-3-9-6(4-7)5-8/h6,8H,2-5H2,1H3
InChI Key:	VGTADGNSGCICTA-UHFFFAOYSA-N
Boiling Point:	177.042 °C at 760 mmHg
Density:	1.031 g/cm³
LogP:	-0.75280

Publication Number	Title	Priority Date
CN-112574224-A	KRAS G12C inhibitor and application thereof	20190930
WO-2021063346-A1	Kras g12c inhibitor and application thereof	20190930
US-2021087190-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
WO-2021028643-A1	Heterocyclic compounds for use in the treatment of cancer	20190809
WO-2020243457-A1	Compounds and therapeutic uses thereof	20190529

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.094628657
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	131.094628657
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.7 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7