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D-Tyrosine(CAS No. 556-02-5)

D-Tyrosine C9H11NO3 (cas 556-02-5) Molecular Structure

556-02-5 Structure

Identification and Related Records

【Name】
D-Tyrosine
【Iupac name】
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid
【CAS Registry number】
556-02-5
【Synonyms】
(R)-3-(p-Hydroxyphenyl)alanine
D-Tyrosin
(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid
H-D-Tyr-OH
D-Tyrosine(556-02-5)
【EINECS(EC#)】
209-112-6
【Molecular Formula】
C9H11NO3 (Products with the same molecular formula)
【Molecular Weight】
181.19
【Inchi】
InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1
【Canonical SMILES】
C1=CC(=CC=C1CC(C(=O)O)N)O
【Isomers smiles】
C1=CC(=CC=C1C[C@H](C(=O)O)N)O
【MOL File】
556-02-5.mol

Chemical and Physical Properties

【Appearance】
white crystals
【Density】
1.333g/cm3
【Melting Point】
310-314℃
【Boiling Point】
385.2°Cat760mmHg
【Refractive Index】
11.2 ° (C=5, 1mol/L HCl)
【Flash Point】
186.7oC
【Alpha】
11.3 o (C=5, 1N HCL)
【Water】
SOLUBLE
【Solubilities】
soluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29225000
【Storage temp】
Store at RT.
【Computed Properties】
Molecular Weight:181.18854 [g/mol]
Molecular Formula:C9H11NO3
XLogP3:-2.3
H-Bond Donor:3
H-Bond Acceptor:4
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:181.073893
MonoIsotopic Mass:181.073893
Topological Polar Surface Area:83.6
Heavy Atom Count:13
Formal Charge:0
Complexity:176
Isotope Atom Count:0
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:10

Safety and Handling

【Hazard Codes】
Xn: Harmful;
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【Safety】

Hazard Codes?of D-Tyrosine (CAS NO.556-02-5):?IrritantXi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.?
S24/25: Avoid contact with skin and eyes.
WGK Germany: 3

【Transport】
25kgs
【Specification】

white to off-white powder
Safety Statements:26-36-24/25
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
24/25:Avoid contact with skin and eyes

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