2-(4-Morpholinylcarbonyl)aniline - CAS 39630-24-5

Name: 2-(4-Morpholinylcarbonyl)aniline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024062
Product Name:	2-(4-Morpholinylcarbonyl)aniline
CAS:	39630-24-5
Synonyms:	(2-aminophenyl)-morpholin-4-ylmethanone

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Computed Properties

IUPAC Name:	(2-aminophenyl)-morpholin-4-ylmethanone
Description:	2-(4-Morpholinylcarbonyl)aniline (CAS# 39630-24-5) is a useful research chemical.
Molecular Weight:	206.24
Molecular Formula:	C11H14N2O2
Canonical SMILES:	C1COCCN1C(=O)C2=CC=CC=C2N
InChI:	InChI=1S/C11H14N2O2/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13/h1-4H,5-8,12H2
InChI Key:	LFLIOZKEABTZIF-UHFFFAOYSA-N
Boiling Point:	411.6 °C at 760 mmHg
Density:	1.228 g/cm³
MDL:	MFCD00034763
LogP:	1.26030

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Related Functional Groups

Morpholines/Thiomorpholines

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[200064-11-5]C9H11BrN2O
4-(5-Bromo-2-pyridyl)morpholine

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3331865-A1	Synthesis of benzodiazepine derivatives	20150807
JP-2018523660-A	Synthesis of benzodiazepine derivatives	20150807
US-10570102-B2	Synthesis of benzodiazepine derivatives	20150807
US-2018237400-A1	Synthesis Of Benzodiazepine Derivatives	20150807
WO-2017025727-A1	Synthesis of benzodiazepine derivatives	20150807

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.105527694
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.105527694
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9