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60-19-5 molecular structure
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4-(2-aminoethyl)phenol hydrochloride

ChemBase ID: 102822
Molecular Formular: C8H12ClNO
Molecular Mass: 173.63998
Monoisotopic Mass: 173.06074169
SMILES and InChIs

SMILES:
Cl.NCCc1ccc(O)cc1
Canonical SMILES:
NCCc1ccc(cc1)O.Cl
InChI:
InChI=1S/C8H11NO.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h1-4,10H,5-6,9H2;1H
InChIKey:
RNISDHSYKZAWOK-UHFFFAOYSA-N

Cite this record

CBID:102822 http://www.chembase.cn/molecule-102822.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-aminoethyl)phenol hydrochloride
IUPAC Traditional name
tyramine hydrochloride
Synonyms
4-(2-Aminoethyl)phenol hydrochloride
4-Hydroxyphenethylamine hydrochloride
Tyrosamine hydrochloride
TYRAMINE HYDROCHLORIDE
Tyramine hydrochloride
4-(2-aminoethyl)phenol hydrochloride
2-(4-Hydroxyphenyl)ethylamine hydrochloride
4-(2-氨乙基)苯酚 盐酸盐
4-羟基苯乙胺 盐酸盐
酪胺 盐酸盐
酪胺盐酸盐
CAS Number
60-19-5
EC Number
200-462-5
MDL Number
MFCD00012901
Beilstein Number
3627058
Merck Index
149835
PubChem SID
24889930
24277896
162090303
PubChem CID
66449

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.410818  H Acceptors
H Donor LogD (pH = 5.5) -1.9262791 
LogD (pH = 7.4) -1.2292765  Log P 0.6797132 
Molar Refractivity 41.2673 cm3 Polarizability 16.070105 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
271 - 273°C expand Show data source
271-274 °C(lit.) expand Show data source
271-274°C expand Show data source
271-274°C expand Show data source
273-276 °C expand Show data source
Hydrophobicity(logP)
0.0 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
SJ6050000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Gene Information
human ... ADORA2A(135), ADORA2B(136), ADORA3(140) expand Show data source
Purity
≥97.0% (AT) expand Show data source
≥98% expand Show data source
95% expand Show data source
95+% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
HOC6H4CH2CH2NH2 · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02103173 external link
Hydrochloride
Sigma Aldrich - T2879 external link
Biochem/physiol Actions
Can enter catecholaminergic terminals and be released as a false transmitter.1
包装
1, 5, 25, 100 g in glass bottle
10 mg in autosmp vl
Sigma Aldrich - 93820 external link
Biochem/physiol Actions
Can enter catecholaminergic terminals and be released as a false transmitter.1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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