N-(2-Hydroxyethyl)aniline

HCID 31235CAS 122-98-5
Substructure searchFind similar structures

Basic information

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 properties

XLogP
0.8
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
10

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.)

Safety & regulation

GHS classification

GHS Classification · 4 items

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 · 3 items

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 · 1 item

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

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

Additional notes

DefinitionChEBI: 2-Anilinoethanol is an aralkylamine.

Related reactions

57 records
New reaction record

Linked notes

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