4-(Morpholinomethyl)aniline

HCID 776851CAS 51013-67-3

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc(CN2CCOCC2)cc1
InChIKey: WNYFVEFUHMDIRQ-UHFFFAOYSA-N
Molecular formula: C11H16N2O
Average molar mass: 192.26 g/mol
Monoisotopic mass: 192.12626313

Names & identifiers

Preferred name: 4-(Morpholinomethyl)aniline
IUPAC: 4-(morpholin-4-ylmethyl)aniline
English name: 4-(Morpholinomethyl)aniline
Molecular formula: C11H16N2O
Molecular weight: 192.26

Names & synonyms

4-(morpholinomethyl)aniline51013-67-3DTXSID50354601RefChem:289216DTXCID80305661968-058-84-(morpholin-4-ylmethyl)aniline4-Morpholin-4-ylmethyl-phenylamine4-morpholin-4-ylmethylphenylamine4-[(morpholin-4-yl)methyl]anilineMFCD036590204-morpholin-4-ylmethyl-aniline

Show more names

AKOS MSC-0181ASISCHEM U94603Compound Fr12755AKOS BBS-00006785BUTTPARK 98\57-95TIMTEC-BB SBB010875CHEMBRDG-BB 40112384-MorpholinoMethylphenylaMine

benzenamine, 4-(4-morpholinylmethyl)-4-(morpholin-4-ylmethyl)phenylamine4-(4-Morpholinylmethyl)benzenamine4-morpholinomethylaniline4-morpholinomethyl-anilineChemDiv2_0035074-(4-aminobenzyl)morpholineOprea1_387449

Database identifiers

CAS: 51013-67-3
PubChem CID: 776851
DTXSID: DTXSID50354601
ChEMBL: CHEMBL1731537
EC Number: 968-058-8
Nikkaji: J2.005.968K

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 38.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 161

Experimental & physicochemical properties

Solubility>28.8 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 95 · 95-97°C
Boiling point: 320.7 · 320.7±27.0 °C(Predicted)
Density: 1.136 · 1.136±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 7.26 · 7.26±0.10(Predicted)
Appearance: White to light yellow Solid
CAS DataBase Reference: 51013 · 51013-67-3(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 300 · H300
Precautionary statements: 501 · P501-P270-P264-P301+P310+P330-P405
Hazard Codes: Xi,C
Risk Statements: 20 · 20/21/22-34
Safety Statements: 26 · 26-36/37/39-45-22
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.