CAS 3458-98-8 3-(2-Aminoethyl)phenol hydrochloride (HCID 77001)

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Basic information

CAS: 3458-98-8
Standard SMILES: Cl.NCCc1cccc(O)c1
InChIKey: GTIWCKXKQGMMQZ-UHFFFAOYSA-N
Molecular formula: C8H12ClNO
Average molar mass: 173.64 g/mol
Monoisotopic mass: 173.06074168

Names & identifiers

Preferred name: 3-(2-Aminoethyl)phenol hydrochloride
IUPAC: 3-(2-aminoethyl)phenol;hydrochloride
English name: 3-Hydroxyphenethylamine hydrochloride
Molecular formula: C8H12ClNO
Molecular weight: 173.64

Names & synonyms

3-(2-Aminoethyl)phenol hydrochloride3-Hydroxyphenethylamine hydrochloridePhenol, 3-(2-aminoethyl)-, hydrochloride (1:1)RefChem:490645222-396-6671-526-13458-98-8m-Tyramine hydrochloridePhenol, 3-(2-aminoethyl)-, hydrochloride3-(2-aminoethyl)phenol;hydrochlorideMFCD00040591EINECS 222-396-6

Show more names

3-Hydroxyphenethylamine, HCl3-(2-AMino-ethyl)-phenol HCl2-(3-Hydroxyphenyl)ethanamineHCl3-(2-aminoethyl)-phenohydrochloride3-hydroxy-benzeneethanaminhydrochloride3-(2-aminoethyl)phenol hydrochloride - [A49522]3-HYDROXYPHENETHYLAMINE HYDROCHLORIDE (M -TYRAMINE HCL) DOP

Benzeneethanamine, 3-hydroxy-, hydrochloride2-(3-hydroxyphenyl)ethylamine hydrochloride3-Hydroxyphenethylamine HClSCHEMBL453247SCHEMBL31505864DTXSID20188137434H29Q4DA3-hydroxy phenethylamine hydrochloride

Database identifiers

CAS: 3458-98-8
PubChem CID: 77001
DTXSID: DTXSID20188137
UNII: 434H29Q4DA
EC Number: 222-396-6

Properties

Computed structural properties

Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 95.3

Physicochemical properties

Melting point: 162 °C · 162 °C
storage temp.: Hygroscopic, Refrigerator, under inert atmosphere
solubility: 2 O: · H2O: ≥10 mg/mL
form: solid
color: off-white to tan
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 5975000 · SJ5975000
HS Code: 2933599590 · 2933599590

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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
rtecs: SJ5975000
hs_code: 2933599590
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P