3-(Morpholin-4-yl)aniline

HCID 847768

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Basic information

CAS: 159724-40-0
Standard SMILES: Nc1cccc(N2CCOCC2)c1
InChIKey: ZJWLMZURLIHVHE-UHFFFAOYSA-N
Molecular formula: C10H14N2O
Average molar mass: 178.23 g/mol
Monoisotopic mass: 178.11061307

Overview

3-Morpholin-4-ylaniline is a member of morpholines.

Names & identifiers

Preferred name: 3-(Morpholin-4-yl)aniline
IUPAC: 3-morpholin-4-ylaniline
English name: 3-(4-Morpholinyl)aniline
Molecular formula: C10H14N2O
Molecular weight: 178.23

Names & synonyms

3-Morpholinoaniline3-(morpholin-4-yl)anilineRefChem:495614641-204-5159724-40-03-morpholin-4-ylaniline3-(4-Morpholinyl)anilineBenzenamine, 3-(4-morpholinyl)-MFCD031971653-(4-morpholinyl)benzenamine3-Morpholin-4-yl-phenylamineMeta-morpholino aniline

Show more names

AKOS BB-8950Compound Fr123543-morpholinobenzenamine3-Morpholin-4ylaniline 97%4-(3-Aminophenyl)morpholine3-(Morpholin-4-yl)aniline 97+%

3-(4Morpholinyl)benzenamineCHEBI:194922DTXSID60357224CS-W003031EN300-505383-morpholin-4-ylphenylamineZ574725753-Morpholin-4-yl-aniline

Database identifiers

CAS: 159724-40-0
PubChem CID: 847768
DTXSID: DTXSID60357224
ChEBI: CHEBI:194922
UNII: YXH5JD37G3
EC Number: 641-204-5
Nikkaji: J1.966.306J

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 38.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 157

Physicochemical properties

Melting point: 118 °C · 118 °C
Boiling point: 0 °C · 0°C
Density: 1.149 · 1.149±0.06 g/cm3(Predicted)
Flash point: 0 °C · 0°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Chloroform (Slightly), DMSO (Slightly, Heated, Sonicated)
form: Solid
pka: 5.27 · 5.27±0.10(Predicted)
color: Pale Brown to Brown
FDA UNII: 5 JD37G3 · YXH5JD37G3
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38-22
Safety Statements: 22 · 22-36/37/39-26
RIDADR: 2811 · UN2811
Hazard Note: Harmful
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (80%)

Safety data

ridadr: UN2811
hs_code: 2934999090
risk_code: 20/21/22-36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
hazard_note: Harmful
safety_code: 22-36/37/39-26
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P261-P305+P351+P338