(4-Benzyl-2-morpholinyl)methanamine - CAS 110859-47-7

Catalog:	BB002678
Product Name:	(4-Benzyl-2-morpholinyl)methanamine
CAS:	110859-47-7
Synonyms:	[4-(phenylmethyl)-2-morpholinyl]methanamine; (4-benzylmorpholin-2-yl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(4-benzylmorpholin-2-yl)methanamine
Description:	(4-Benzyl-2-morpholinyl)methanamine (CAS# 110859-47-7) is a useful research chemical.
Molecular Weight:	206.28
Molecular Formula:	C12H18N2O
Canonical SMILES:	C1COC(CN1CC2=CC=CC=C2)CN
InChI:	InChI=1S/C12H18N2O/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
InChI Key:	CKZVBXBEDDAEFE-UHFFFAOYSA-N
Boiling Point:	120-122 °C / 0.5 mmHg
Density:	1.076 g/cm³
MDL:	MFCD02682010
LogP:	1.48430

Publication Number	Title	Priority Date
WO-2019238057-A1	Application of fso2n3 in preparation of azide	20180613
EP-3621619-A1	Compounds and methods for treatment of visceral pain	20170508
US-2020078358-A1	Compounds and Methods for Treatment of Visceral Pain	20170508
WO-2018208847-A1	Compounds and methods for treatment of pain from inflammatory bowel disease	20170508
WO-2018208848-A1	Compounds and methods for treatment of visceral pain	20170508

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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:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.141913202
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.141913202
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5