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2,5-Diethoxy-4-(4-morpholinyl)benzenamine

HCID 98599
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
51963-82-7
Standard SMILES
CCOc1cc(N2CCOCC2)c(OCC)cc1N
InChIKey
DDCBPJKVWMBNCC-UHFFFAOYSA-N
Molecular formula
C14H22N2O3
Average molar mass
266.34 g/mol
Monoisotopic mass
266.16304257

Overview

structure in first source

Names & identifiers

Preferred name
2,5-Diethoxy-4-(4-morpholinyl)benzenamine
IUPAC
2,5-diethoxy-4-morpholin-4-ylaniline
English name
2,5-Diethoxy-4-(4-morpholinyl)benzenamine
Molecular formula
C14H22N2O3
Molecular weight
266.34

Names & synonyms

2,5-Diethoxy-4-morpholinoaniline51963-82-72,5-diethoxy-4-(4-morpholinyl)benzenamineBenzenamine, 2,5-diethoxy-4-(4-morpholinyl)-D17XV7GP1QNSC-151969DTXSID1068693RefChem:82826DTXCID8041111257-562-72,5-diethoxy-4-(morpholin-4-yl)aniline2,5-diethoxy-4-morpholin-4-ylaniline
Show more names
4-Morpholino-2,5-diethoxyaniline4-(4-AMINO-2,5-DIETHOXYPHENYL)MORPHOLINE
2,5-Diethoxy-4-morpholinyl anilineMFCD02052680N-(4-Amino-2,5-diethoxyphenyl)morpholine2,5-Diethoxy-4-morpholino anilineEINECS 257-562-7NSC151969NSC 1519692,5-diethoxy-4-(4-morpholinyl)aniline

Database identifiers

CAS
51963-82-7
PubChem CID
98599
DTXSID
DTXSID1068693
UNII
D17XV7GP1Q
EC Number
257-562-7
Nikkaji
J39.633H

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
57 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
259

Physicochemical properties

Melting point
83 · 83-86
Boiling point
466 · 466.0±45.0 °C(Predicted)
Density
1.128 · 1.128±0.06 g/cm3(Predicted)
pka
7.26 · 7.26±0.40(Predicted)
CAS DataBase Reference
51963 · 51963-82-7(CAS DataBase Reference)
FDA UNII
17 XV7GP1Q · D17XV7GP1Q
EPA Substance Registry System
2 · Benzenamine, 2,5-diethoxy-4-(4-morpholinyl)- (51963-82-7)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
Hazard Codes
Xi
Hazard Note
Irritant
TSCA
TSCA listed
HS Code
2922290090 · 2922290090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed
hs_code
2922290090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, 2,5-diethoxy-4-(4-morpholinyl)-: INACTIVE

Related reactions

3 records
New reaction record
HRID 290616 reaction equation
HRID 290616As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 729325 reaction equation
HRID 729325As reactantuspto-grants-2009_09
HRID 2331941 reaction equation
HRID 2331941As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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