2-(Morpholinomethyl)aniline - CAS 95539-61-0

Catalog:	BB041756
Product Name:	2-(Morpholinomethyl)aniline
CAS:	95539-61-0
Synonyms:	2-(4-morpholinylmethyl)aniline; 2-(morpholin-4-ylmethyl)aniline

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Computed Properties

IUPAC Name:	2-(morpholin-4-ylmethyl)aniline
Description:	2-(Morpholinomethyl)aniline (CAS# 95539-61-0) is a useful research chemical.
Molecular Weight:	192.26
Molecular Formula:	C11H16N2O
Canonical SMILES:	C1COCCN1CC2=CC=CC=C2N
InChI:	InChI=1S/C11H16N2O/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9,12H2
InChI Key:	BNBJMXCRCHPDIG-UHFFFAOYSA-N
Boiling Point:	321 °C at 760 mmHg
Density:	1.136 g/cm³
Appearance:	Solid
LogP:	1.62010

Publication Number	Title	Priority Date
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021069705-A1	Isoindolinone compounds	20191009
WO-2020252151-A1	Cot modulators and methods of use thereof	20190614
US-10618897-B2	Spiroindolinones as DDR1 inhibitors	20160208
US-2019071444-A1	Spiroindolinones as ddr1 inhibitors	20160208

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.126263138
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.126263138
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7