3-amino-4-(4-morpholino)benzotrifluoride - CAS 784-57-6

Catalog:	BB036172
Product Name:	3-amino-4-(4-morpholino)benzotrifluoride
CAS:	784-57-6
Synonyms:	2-morpholin-4-yl-5-(trifluoromethyl)aniline

Technical Data

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Computed Properties

IUPAC Name:	2-morpholin-4-yl-5-(trifluoromethyl)aniline
Description:	3-amino-4-(4-morpholino)benzotrifluoride (CAS# 784-57-6) is a useful research chemical.
Molecular Weight:	246.23
Molecular Formula:	C11H13F3N2O
Canonical SMILES:	C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)N
InChI:	InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-10(9(15)7-8)16-3-5-17-6-4-16/h1-2,7H,3-6,15H2
InChI Key:	CNVOJNRNRNAOOP-UHFFFAOYSA-N
Boiling Point:	348.5 °C at 760 mmHg
Density:	1.306 g/cm³
MDL:	MFCD00042160
LogP:	2.77040

Publication Number	Title	Priority Date
CN-109705060-A	A kind of preparation method of N- (2- morpholinyl -5- trifluoromethyl) -2- (3- methylphenoxy) propionamide	20190116
US-2021161907-A1	Use of small molecule fak activators to promote mucosal healing	20180413
AU-2016317531-A1	Urea derivative and use therefor	20150831
CA-2991697-A1	Urea derivative and use therefor	20150831
EP-3345893-A1	Urea derivative and use therefor	20150831

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Related Functional Groups

Morpholines/Thiomorpholines

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GHS Hazard Statement:	H302+H312 (86.36%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.09799753
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	246.09799753
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9