2-(4-Benzyloxy-phenyl)-ethylamine

HCID 200957

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 51179-05-6
Standard SMILES: NCCc1ccc(OCc2ccccc2)cc1
InChIKey: MKKMZZXGIORPMU-UHFFFAOYSA-N
Molecular formula: C15H17NO
Average molar mass: 227.3 g/mol
Monoisotopic mass: 227.13101416

Names & identifiers

Preferred name: 2-(4-Benzyloxy-phenyl)-ethylamine
IUPAC: 2-(4-phenylmethoxyphenyl)ethanamine
English name: 2-(4-Benzyloxy-phenyl)-ethylamine
Molecular formula: C15H17NO
Molecular weight: 227.3

Names & synonyms

51179-05-62-(4-benzyloxy-phenyl)-ethylamineDTXSID50276793RefChem:251918DTXCID702023322-(4-Benzyloxyphenyl)ethylamine2-(4-(benzyloxy)phenyl)ethanamine2-(4-phenylmethoxyphenyl)ethanamine2-[4-(benzyloxy)phenyl]ethan-1-amine4-benzyloxyphenethylamine2-[4-(benzyloxy)phenyl]ethanamineMFCD00025607

Show more names

RARECHEM AL BW 1365Benzeneethanamine, 4-(phenylmethoxy)-2-(4-Benzyloxy-phenyl)-ethylamine, CAS 51179-05-6

2-(4-benzyloxy-phenyl)ethylamine2-(4-(Benzyloxy)phenyl)ethan-1-amineCHEMBL2000884-(Benzyloxy)-benzeneethanamineO-benzyl tyramineO-benzyl-tyramineSCHEMBL5665434-(Benzyloxy)benzeneethanamine

Database identifiers

CAS: 51179-05-6
PubChem CID: 200957
DTXSID: DTXSID50276793
ChEMBL: CHEMBL200088
EC Number: 675-901-0
Nikkaji: J2.290.980K

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 193

Physicochemical properties

solubility: soluble in Chloroform; Dichloromethane; Ethyl Acetate; Methanol
form: Solid
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi
HS Code: 2922290090 · 2922290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2922290090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

Uses2-[4-(Benzyloxy)phenyl]ethanamine is an intermediate in synthesizing N-Iodoacetyltyramine (I685880). It is used in iodine-125 labelling of various molecules for chemical analysis.