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775-06-4 molecular structure
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2-amino-3-(3-hydroxyphenyl)propanoic acid

ChemBase ID: 92386
Molecular Formular: C9H11NO3
Molecular Mass: 181.18854
Monoisotopic Mass: 181.07389322
SMILES and InChIs

SMILES:
NC(Cc1cc(ccc1)O)C(=O)O
Canonical SMILES:
OC(=O)C(Cc1cccc(c1)O)N
InChI:
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)
InChIKey:
JZKXXXDKRQWDET-UHFFFAOYSA-N

Cite this record

CBID:92386 http://www.chembase.cn/molecule-92386.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-3-(3-hydroxyphenyl)propanoic acid
IUPAC Traditional name
m-L-tyrosine
Synonyms
2-Amino-3-(3-hydroxyphenyl)propanoic acid
3-(3-Hydroxyphenyl)-D,L-alanine
m-Hydroxyphenylalanine
Metatyrosine
DL-3-Hydroxyphenylalanine
NSC 89304
D,L-m-Tyrosine
DL-3-[3-Hydroxyphenyl]alanine
DL-2-Amino-3-(3-hydroxyphenyl)propionic acid
3-(3-Hydroxyphenyl)-DL-alanine
DL-meta-TYROSINE
2-Amino-3-(3-hydroxyphenyl)propanoic acid
DL-m-Tyrosine
3-Hydroxy-DL-phenylalanine
(±)-2-Amino-3-(3-hydroxyphenyl)propionic acid
DL-m-Tyrosine
(±)-2-氨基-3-(3-羟基苯基)丙酸
3-(3-羟基苯基)-DL-丙氨酸
DL-间酪氨酸
CAS Number
775-06-4
EC Number
212-270-9
MDL Number
MFCD00002597
Beilstein Number
2416853
PubChem SID
24900153
24889937
162079084
24889936
PubChem CID
13052

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.0020301  H Acceptors
H Donor LogD (pH = 5.5) -1.488467 
LogD (pH = 7.4) -1.4959543  Log P -1.4885992 
Molar Refractivity 47.0972 cm3 Polarizability 18.512545 Å3
Polar Surface Area 83.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Warm Water expand Show data source
Apperance
Off White to Light Tan Solid expand Show data source
off-white to yellow crystalline expand Show data source
Melting Point
~285 °C (dec.) expand Show data source
>278°C (dec.) expand Show data source
280-285 °C (dec.)(lit.) expand Show data source
280-285°C expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
Room Temperature (15-30°C) expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
YP2278000 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
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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
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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (NT) expand Show data source
95+% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
HOC6H4CH2CH(NH2)CO2H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02103179 external link
White to off-white crystals
Sigma Aldrich - T3629 external link
Packaging
1, 5 g in poly bottle
Sigma Aldrich - T90395 external link
Packaging
5 g in glass bottle
Toronto Research Chemicals - T910000 external link
A precursor in the formation of catecholamines.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Carlsson, L.: Eur. J. Pharmacol., 2, 187 (1967)
  • • Rubenson, J.: Pharm. Pharmacol., 23, 228, 412 (1967)
  • • Sandler, et al.: Nature, 229, 414 (1967)
  • • Ungerstedt, et al.: Eur. J. Pharmacol., 21, 230 (1973)
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PATENTS

PATENTS

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INTERNET

INTERNET

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