AG001TXT

16323-00-5 | Tyrosine, α-methyl-, ethyl ester

AG001TXT

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CAS Number	16323-00-5
Catalog Number	AG001TXT(AGN-PC-0WAMBZ)
Chemical Name	Tyrosine, α-methyl-, ethyl ester
IUPAC Name	ethyl 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoate
InChI	InChI=1S/C12H17NO3/c1-3-16-11(15)12(2,13)8-9-4-6-10(14)7-5-9/h4-7,14H,3,8,13H2,1-2H3
InChI Key	LTBRGLHBHNJNHQ-UHFFFAOYSA-N
MDL Number	MFCD10566154
Molecular Formula	C12H17NO3
Molecular Weight	223.2683
SMILES	O=C(OCC)C(C)(N)CC1=CC=C(O)C=C1
Synonyms	ethyl 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoate, 16323-00-5, alpha-Methyl-DL-tyrosine Ethyl Ester, AK174039, CS-D0536, MFCD10566154, AKOS025396344, DS-8568, SC-42286, SY046068, MFCD10566154 (95%), ETHYL 2-(4-HYDROXYBENZYL)-2-AMINOPROPANOATE, ethyl2-amino-3-(4-hydroxyphenyl)-2-methylpropanoate,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.121g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	223.272g/mol
Monoisotopic Mass	223.121g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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