4-(2-Aminoethyl)tetrahydropyran - CAS 65412-03-5

Catalog:	BB032726
Product Name:	4-(2-Aminoethyl)tetrahydropyran
CAS:	65412-03-5
Synonyms:	2-(4-oxanyl)ethanamine; 2-(oxan-4-yl)ethanamine

Technical Data

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Computed Properties

IUPAC Name:	2-(oxan-4-yl)ethanamine
Description:	4-(2-Aminoethyl)tetrahydropyran (CAS# 65412-03-5) is a useful pharmaceutical intermediate.
Molecular Weight:	129.20
Molecular Formula:	C7H15NO
Canonical SMILES:	C1COCCC1CCN
InChI:	InChI=1S/C7H15NO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6,8H2
InChI Key:	BZMADPOGYCRPAI-UHFFFAOYSA-N
Boiling Point:	88-89 °C / 13 mmHg 200.5 °C at 760 mmHg
Appearance:	Solid
MDL:	MFCD02179433
LogP:	1.46210

Publication Number	Title	Priority Date
CN-111718332-A	2-substituted pyrazol amino-4-substituted amino-5-pyrimidine formamide compound, composition and application thereof	20190319
CN-111718332-B	2-substituted pyrazol amino-4-substituted amino-5-pyrimidine formamide compound, composition and application thereof	20190319
US-2020231570-A1	Heterocyclic compounds as adenosine antagonists	20190118
WO-2020150674-A1	Heterocyclic compounds as adenosine antagonists	20190118
KR-20210116550-A	Heterocyclic compounds as adenosine antagonists	20190118

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GHS Hazard Statement:	H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	69.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.115364102
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	129.115364102
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2