N-Acetyl-L-tyrosine

CAS	537-55-3
Structure
Synonyms	N-Acetyltyrosine
IUPAC Name	(2S)-2-Acetamido-3-(4-hydroxyphenyl)propanoic acid
Molecular Weight	223.23
Molecular Formula	C11H13NO4
Canonical SMILES	CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O
InChI	InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1
InChI Key	CAHKINHBCWCHCF-JTQLQIEISA-N
Boiling Point	364.51 °C
Melting Point	149-152 °C(lit.)
Flash Point	275.1 °C
Purity	98%
Density	1.2446 g/cm³
Refractive Index	1.4960
pKa	3.15±0.10(Predicted)
Solubility in Water	25 g/L
Appearance	White to off-white crystalline