Benzylethanolamine

HCID 4348CAS 104-63-2
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Basic information

Standard SMILES
OCCNCc1ccccc1
InChIKey
XNIOWJUQPMKCIJ-UHFFFAOYSA-N
Molecular formula
C9H13NO
Average molar mass
151.21 g/mol
Monoisotopic mass
151.09971404

Overview

N-Benzylethanolamine is an aromatic amine.

Names & identifiers

Preferred name
Benzylethanolamine
IUPAC
2-(benzylamino)ethanol
English name
N-Benzylethanolamine
Molecular formula
C9H13NO
Molecular weight
151.21

Names & synonyms

N-Benzylethanolamine2-(Benzylamino)ethanol104-63-2BenzylaminoethanolBenzylethanolamineEthanol, 2-[(phenylmethyl)amino]-N-BenzylaminoethanolEthanol, 2-(benzylamino)-Benzyl ethanolamineDTXSID104435648121MS9JMEthanol, 2-((phenylmethyl)amino)-
Show more names
NBEA2-(Phenylmethyl)amino-ethanolNBZEABCL8BLYST2KIAA1544TIMTEC-BB SBB004062
NSC-60267NSC-11271NSC-177008DTXCID9024356RefChem:829234203-221-22-Benzylaminoethanol2-(Benzylamino)Ethan-1-Ol

Database identifiers

CAS
104-63-2
PubChem CID
4348
DTXSID
DTXSID1044356
ChEMBL
CHEMBL119890
ChEBI
CHEBI:194998
UNII
48121MS9JM
EC Number
203-221-2
Nikkaji
J149.805C

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Ethanolamines
Vapor Pressure0.000372 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Collision Cross Section134.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1044356]

Physicochemical properties

Melting point
-30 ℃ · -30℃
Boiling point
153 · 153-156 °C12 mm Hg(lit.)
Density
1.065 g/mL · 1.065 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.543(lit.)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (42.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Ethanol, 2-[(phenylmethyl)amino]-

Status: Active Update: 18-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20031

Ethanol, 2-(phenylmethyl)amino-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Ethanolamine.
Hazard Classes and CategoriesSkin Corr. 1A (42.9%)

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
3
tsca
TSCA listed
hs_code
29221980
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanol, 2-[(phenylmethyl)amino]-: ACTIVE
Applications · 2 items

UsesCorrosion inhibitor; intermediate.

UsesHas Pharmaceutical applications. N-Benzylethanolamine is used in the synthesis of imidazoles as potent calcitonin (CGRP) antagonists. Also it aids in the preparation of benzofused hydroxamix acids, as useful fragments for the synthesis of histone deacetylase inhibitors.

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京一化生物科技有限公司13429882898; 13429882898

Additional notes

DefinitionChEBI: N-Benzylethanolamine is an aromatic amine.

Related reactions

213 records
New reaction record

Linked notes

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