N-(2-Hydroxyethyl)aniline
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Basic information
- CAS
122-98-5- Standard SMILES
OCCNc1ccccc1- InChIKey
MWGATWIBSKHFMR-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Overview
2-Anilinoethanol is an aralkylamine.
Names & identifiers
- Preferred name
- N-(2-Hydroxyethyl)aniline
- IUPAC
- 2-anilinoethanol
- English name
- 2-Anilinoethanol
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
2-ANILINOETHANOL122-98-52-(Phenylamino)ethanolN-PhenylethanolamineN-(2-Hydroxyethyl)anilineEthanol, 2-(phenylamino)-beta-AnilinoethanolEthanol, 2-anilino-N-(2-Hydroxyethyl)phenylaminePhenyl ethanolamineBenzenamine, N-(2-hydroxyethyl)-Emery 5700
Show more names
PEAPHENYLETHANOLAMINEN-HYDROXYETHYLANILINE2-anilino-ethanoemery5700WLN: Q2MR
N-(beta-Hydroxyethyl)aniline630DL2N96BNSC-8393DTXSID8059550RefChem:85421DTXCID7033737204-588-12-(phenylamino)ethan-1-ol
Database identifiers
- CAS
122-98-5- PubChem CID
- 31235
- DTXSID
DTXSID8059550- ChEMBL
CHEMBL1908069- ChEBI
CHEBI:194595- UNII
- 630DL2N96B
- EC Number
- 204-588-1
- Nikkaji
- J38.358I
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 79.3
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Ethanolamines
SpringerMaterials PropertiesBoiling point
Physical DescriptionMelting point =11 deg C; [ChemIDplus] Clear brown liquid; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- -30 °C · -30 °C
- Boiling point
- 150 · 150-152 °C10 mm Hg(lit.)
- Density
- 1.094 g/mL · 1.094 g/mL at 25 °C(lit.)
- vapor density
- 1 · >1 (vs air)
- vapor pressure
- 0.01 mm · <0.01 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.578(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 4.5 g/l · 4.5g/l
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (80.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 221 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanol, 2-(phenylamino)-
Status: Active Update: 15-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22800
2-Anilinoethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A moderate to severe eye and mild skin irritant; Causes ataxia and coma in intravenous lethal-dose studies of rabbits; [RTECS] A severe skin and eye irritant; Highly toxic by skin absorption; [Acros Organics MSDS] See 2-Methylaminoethanol. See Phenylethanolamine.
Hazard Classes and CategoriesAcute Tox. 3 (80.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- KJ7175000
- ridadr
- UN 2810 6.1/PG 2
- hs_code
- 29221990
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-(phenylamino)-: ACTIVE
Applications
UsesN-Phenylethanolamine is used as an intermediate for dyes and other organic compounds. Further, it is used as a substrate for human olfactory uridine 5'-diphospho-glucuronosyltransferase.
UsesN-(2-Hydroxyethyl)aniline was employed as substrate for human olfactory UDP-glucuronosyltransferase.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
57 records
Compound notes
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