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16870-43-2 molecular structure
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(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid hydrochloride

ChemBase ID: 102827
Molecular Formular: C9H12ClNO3
Molecular Mass: 217.64948
Monoisotopic Mass: 217.05057093
SMILES and InChIs

SMILES:
Cl.N[C@@H](Cc1ccc(O)cc1)C(=O)O
Canonical SMILES:
OC(=O)[C@H](Cc1ccc(cc1)O)N.Cl
InChI:
InChI=1S/C9H11NO3.ClH/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;/h1-4,8,11H,5,10H2,(H,12,13);1H/t8-;/m0./s1
InChIKey:
JJWFIVDAMOFNPS-QRPNPIFTSA-N

Cite this record

CBID:102827 http://www.chembase.cn/molecule-102827.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid hydrochloride
IUPAC Traditional name
L-tyrosine hydrochloride
Synonyms
L-TYROSINE HYDROCHLORIDE
L-Tyrosine hydrochloride
3-(4-Hydroxyphenyl)-L-alanine hydrochloride
3-(4-Hydroxyphenyl)-L-alanine
3-(4-羟基苯基)-L-丙氨酸
L-苯酚氨基丙酸 盐酸盐
L-酪氨酸 盐酸盐
CAS Number
16870-43-2
MDL Number
MFCD00012617
PubChem SID
24900004
162090089
24900008
PubChem CID
12209702

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.9998473  H Acceptors
H Donor LogD (pH = 5.5) -1.4884841 
LogD (pH = 7.4) -1.495157  Log P -1.488594 
Molar Refractivity 47.0972 cm3 Polarizability 18.512522 Å3
Polar Surface Area 83.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
239 °C (dec.)(lit.) expand Show data source
239°C (dec.) expand Show data source
Optical Rotation
[α]20/D -8°, c = 4 in 1 M HCl expand Show data source
Storage Condition
0°C expand Show data source
Room Temperature (15-30°C) 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
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
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
Gene Information
human ... GRIN2C(2905)mouse ... GRIN2C(14813)rat ... GRIN2C(24411) expand Show data source
Purity
≥98% (TLC) expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Suitability
suitable for cell culture expand Show data source
Linear Formula
HOC6H4CH2CH(NH2)CO2H·HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02103192 external link
Hydrochloride
Crystalline
MP Biomedicals - 02194760 external link
Cell Culture Reagent
Hydrochloride
Crystalline
Sigma Aldrich - T2025 external link
Other Notes
多巴胺和其他儿茶酚胺的氨基酸前体
General description
Tyrosine is a polar, non-essential amino acid with a phenolic functionality. L-tyrosine is a natural amino acid that is incorporated into proteins as directed by the genetic code. The phenolic function makes the tyrosine residue in proteins a principle recipient of reactions such as phosphorylation/dephosphorylation important for cell signalling. Tyrosine is also a precursor of various neurotransmitters and hormones.
Sigma Aldrich - T2006 external link
Other Notes
多巴胺和其他儿茶酚胺的氨基酸前体
包装
1, 5, 10 g in poly bottle
Sigma Aldrich - 287369 external link
Other Notes
Amino acid precursor of dopamine and other catecholamines

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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