(4-Amino-4-tetrahydropyranyl)methanol - CAS 720706-20-7

Catalog:	BB034531
Product Name:	(4-Amino-4-tetrahydropyranyl)methanol
CAS:	720706-20-7
Synonyms:	(4-amino-4-oxanyl)methanol; (4-aminooxan-4-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(4-aminooxan-4-yl)methanol
Description:	(4-Amino-4-tetrahydropyranyl)methanol (CAS# 720706-20-7) is a useful research chemical.
Molecular Weight:	131.17
Molecular Formula:	C6H13NO2
Canonical SMILES:	C1COCCC1(CO)N
InChI:	InChI=1S/C6H13NO2/c7-6(5-8)1-3-9-4-2-6/h8H,1-5,7H2
InChI Key:	GICNBHGJGXBSBL-UHFFFAOYSA-N
Boiling Point:	231 °C at 760 mmHg
Density:	1.074 g/cm³
MDL:	MFCD04115578
LogP:	0.18690

Publication Number	Title	Priority Date
CN-113429556-A	Catalyst for synthesizing biocompatible material by carbon dioxide-epoxy compound copolymerization	20210719
WO-2021064189-A2	Prostaglandin e2 (pge2) ep4 receptor antagonists	20191002
WO-2020024997-A1	Preparation and application of class of n-containing heterocyclic compounds having immunoregulatory function	20180801
WO-2020025030-A1	Preparation and application of aromatic compound having immunoregulatory function	20180801
EP-3831823-A1	Preparation and application of aromatic compound having immunoregulatory function	20180801

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	89.1
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	131.094628657
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.2