Basic information
- CAS
5585-33-1- Standard SMILES
Nc1ccccc1N1CCOCC1- InChIKey
QKWLVAYDAHQMLG-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Names & identifiers
- Preferred name
- 2-Morpholinoaniline
- IUPAC
- 2-morpholin-4-ylaniline
- English name
- 2-Morpholinoaniline
- Molecular formula
- C10H14N2O
- Molecular weight
- 178.23
Names & synonyms
2-Morpholinoaniline5585-33-1DTXSID30352822RefChem:264047DTXCID00303886627-396-32-(morpholin-4-yl)aniline2-Morpholin-4-yl-phenylamine2-morpholin-4-ylaniline2-(4-Morpholino)aniline4-(2-Aminophenyl)morpholineMFCD00047408
Show more names
AKOS BB-8566AKOS B033129ASISCHEM U14625Compound Fr12342BUTTPARK 96\57-90TIMTEC-BB SBB0101252-Morpholinoaniline 97%
2-(4-Morpholinyl)aniline2-morpholin-4-ylphenylamineBenzenamine, 2-(4-morpholinyl)-LWV2-morpholinobenzenamineEnamine_000782(2-Morpholinophenyl)aminePB36FZG3HN
Database identifiers
- CAS
5585-33-1- PubChem CID
- 735756
- DTXSID
DTXSID30352822- ChEMBL
CHEMBL1333997- UNII
- PB36FZG3HN
- EC Number
- 627-396-3
- Nikkaji
- J1.107.064G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 38.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 93 · 93-95°C
- Boiling point
- 120 °C/0.6mmHg · 120°C/0.6mmHg(lit.)
- Density
- 1.149 · 1.149±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- 7.26 · 7.26±0.40(Predicted)
- color
- White to Yellow to Orange
- BRN
- 163926 · 163926
- InChI
- 1S/C10H14N2O/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h1-4H,5-8,11H2
- InChIKey
- QKWLVAYDAHQMLG-UHFFFAOYSA-N
- SMILES
- Nc1ccccc1N2CCOCC2
- CAS DataBase Reference
- 5585 · 5585-33-1(CAS DataBase Reference)
- FDA UNII
- 36 FZG3HN · PB36FZG3HN
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 20 · 20/21/22-36/37/38-22
- Safety Statements
- 26 · 26-36/37/39-36/37
- RIDADR
- 2811 · 2811
- WGK Germany
- 2 · 2
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 2934999090 · 2934999090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 44 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 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- ridadr
- 2811
- hs_code
- 2934999090
- risk_code
- 20/21/22-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-36/37
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
62 records
Compound notes
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