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L-Tyrosine methyl ester

CAT: 0286-T33535-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-T33535-01Size:5 g
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CAS Number
1080-06-4
Synonyms
L-Tyr-OMe
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00002392
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Tyrosine Methyl Ester

Methyl L-tyrosinate is an L-tyrosyl ester that is the methyl ester of L-tyrosine. It is a L-tyrosyl ester and a methyl ester.

CAS Number1080-06-4
PubChem CID70652
IUPAC Namemethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
Molecular FormulaC10H13NO3
Molecular Weight195.21
XLogP0.3
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity188
SMILES
COC(=O)[C@H](CC1=CC=C(C=C1)O)N
InChI
InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1
InChIKey
MWZPENIJLUWBSY-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Tyrosine Methyl Ester
CAS: 1080-06-4
CID: 70652
Formula: C10H13NO3
MW: 195.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight195.21
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass195.08954328
Monoisotopic Mass195.08954328
Topological Polar Surface Area72.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes