CAS 51207-86-4 4-(Morpholine-4-carbonyl)aniline (HCID 577815)

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Basic information

CAS: 51207-86-4
Standard SMILES: Nc1ccc(C(=O)N2CCOCC2)cc1
InChIKey: WEHVQIQNGXWTME-UHFFFAOYSA-N
Molecular formula: C11H14N2O2
Average molar mass: 206.24 g/mol
Monoisotopic mass: 206.10552769

Names & identifiers

Preferred name: 4-(Morpholine-4-carbonyl)aniline
IUPAC: (4-aminophenyl)-morpholin-4-ylmethanone
English name: (4-Amino-phenyl)-morpholin-4-yl-methanone
Molecular formula: C11H14N2O2
Molecular weight: 206.24

Names & synonyms

(4-aminophenyl)(morpholino)methanone4-(morpholine-4-carbonyl)anilineRefChem:516444672-072-751207-86-4p-Aminobenzoylmorpholine(4-aminophenyl)-morpholin-4-ylmethanoneMFCD001587884-aminobenzoylmorpholineMorpholine, 4-(4-aminobenzoyl)-4-(morpholin-4-ylcarbonyl)aniline(4-Amino-phenyl)-morpholin-4-yl-methanone

Show more names

AKOS B000462N-(p-AMinobenBUTTPARK 19\02-43TIMTEC-BB SBB000456ART-CHEM-BB B000462CHEMBRDG-BB 30004624-(4-AMinobenzoyl)Morpholine4-(p-AMinobenzoyl)Morpholine4-AMINOBENZOIC ACID, MORPHOLIDE

(4-aminophenyl)morpholin-4-yl-methanoneDTXSID30342021HMS1537J104-(morpholin-4-ylcarbonyl)phenylamineAKOS000111604CS-W021099(4-Aminophenyl)morpholin-4-ylmethanone(4-aminophenyl)(morpholin-4-yl)methanone

Database identifiers

CAS: 51207-86-4
PubChem CID: 577815
DTXSID: DTXSID30342021
EC Number: 672-072-7
Nikkaji: J1.310.823D

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 55.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 219

Physicochemical properties

Melting point: 132 · 132-135°C
Boiling point: 426.9 · 426.9±40.0 °C(Predicted)
Density: 1.228 · 1.228±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 3.43 · 3.43±0.10(Predicted)
Appearance: Off-white to light brown Solid
CAS DataBase Reference: 51207 · 51207-86-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2934999090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H332-H335

Chemistry & industry

Applications

Uses(4-Amino-Phenyl)-Morpholin-4-yl-Methanone is an morpholine derivative used in the preparation of tyrosine kinase inhibitors and other biologically active agents.