AG00C14P

22888-49-9 | 3-(4-Acetylphenyl)-2-aminopropanoic acid hydrochloride

AG00C14P

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CAS Number	22888-49-9
Catalog Number	AG00C14P(AGN-PC-056KZV)
Chemical Name	3-(4-Acetylphenyl)-2-aminopropanoic acid hydrochloride
IUPAC Name	3-(4-acetylphenyl)-2-aminopropanoic acid
InChI	InChI=1S/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)
InChI Key	ZXSBHXZKWRIEIA-UHFFFAOYSA-N
MDL Number	MFCD07437932
Molecular Formula	C11H13NO3
Molecular Weight	207.2258
SMILES	O=C(O)C(N)CC1=CC=C(C(C)=O)C=C1
Synonyms	3-(4-acetylphenyl)-2-aminopropanoic acid, p-acetyl-L-phenylalanine, 3-(4-acetylphenyl)-2-aminopropanoic acid, 22888-49-9, H-Phe(4-Ac)-OH, (R)-3-(4-Acetylphenyl)-2-aminopropanoic acid, DL-3-(p-acetylphenyl)-alanine, AK120220, ACMC-20mq3o, Phenylalanine,4-acetyl-, AC1MC7VW, 4-Acetyl-DL-phenylalanine, SCHEMBL93537, CTK7D4135, AKOS023763861, alpha-Amino-4-acetylbenzenepropionic acid, AK163163, AX8224890, FT-0747988, ST24041452, Phenylalanine, 4-acetyl-, L-Phenylalanine, 4-acetyl-, ACN-029039, CID2763150, (2S)-3-(4-acetylphenyl)-2-aminopropanoic acid, 122555-04-8, 3-(4-Acetyl-phenyl)-2-amino-propionic acid hydrochloride, 1217644-59-1, 3-(4-acetylphenyl)-2-aminopropanoic acid hydrochloridecas free amine), 4AF,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.09g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	207.229g/mol
Monoisotopic Mass	207.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	80.4A^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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