4-Methoxypiperidine - CAS 4045-24-3

Catalog:	BB024503
Product Name:	4-Methoxypiperidine
CAS:	4045-24-3
Synonyms:	4-methoxypiperidine; 4-methoxypiperidine

Technical Data

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Computed Properties

IUPAC Name:	4-methoxypiperidine
Description:	4-Methoxypiperidine (CAS# 4045-24-3) is a useful research chemical.
Molecular Weight:	115.17
Molecular Formula:	C6H13NO
Canonical SMILES:	COC1CCNCC1
InChI:	InChI=1S/C6H13NO/c1-8-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
InChI Key:	ZEYSHALLPAKUHG-UHFFFAOYSA-N
Boiling Point:	149.9 °C at 760 mmHg
Purity:	97.0 %
Density:	0.93 g/cm³
MDL:	MFCD04115010
LogP:	0.71360

Publication Number	Title	Priority Date
CN-112759759-A	Multi-phosphate compound, preparation method and application thereof	20201230
CN-111943946-A	Dihydroquinazinone carboxylic acid compound containing nitrogen heterocyclic segment and application thereof	20200819
WO-2021202964-A1	Allosteric chromenone inhibitors of phosphoinositide 3-kinase (pi3k) for the treatment of diseases associated with p13k modulation	20200403
WO-2021203016-A2	Protein-protein interaction stabilizers	20200403
WO-2021198188-A1	Quinazolinone derivatives and uses thereof for treating a cancer	20200330

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GHS Hazard Statement:	H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	59.5
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:	21.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2