AG003MRM

154-08-5 | 2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid

AG003MRM

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CAS Number	154-08-5
Catalog Number	AG003MRM(AGN-PC-0O4DX6)
Chemical Name	2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
EC Number	205-822-5
IUPAC Name	2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
InChI	InChI=1S/C11H11FN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)
InChI Key	INPQIVHQSQUEAJ-UHFFFAOYSA-N
MDL Number	MFCD00005649
Molecular Formula	C11H11FN2O2
Molecular Weight	222.2156
NSC Number	9363
SMILES	O=C(O)C(N)CC1=CNC2=C1C=C(F)C=C2
Synonyms	5-fluoro-(beta-11C)tryptophan, 5-fluoro-L-tryptophan, 5-fluorotryptophan, 5-fluorotryptophan, (DL)-isomer, 5-fluorotryptophan, (L)-isomer, 5-fluorotryptophan, 18F-labeled, 5-fluorotryptophan, 18F-labeled, (L)-isomer, L-5-fluorotryptophan, 5-Fluoro-dl-tryptophan, 154-08-5, 5-FLUOROTRYPTOPHAN, 2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid, DL-5-Fluorotryptophan, Tryptophan, 5-fluoro-, Tryptophan, 5-fluoro-, DL-, 5-fluoro-d,l-tryptophan, EINECS 205-822-5, BRN 0022753, INPQIVHQSQUEAJ-UHFFFAOYSA-N, F-6840, 343-91-9, 2-amino-3-(5-fluoroindol-3-yl)propanoic acid, AK-60150, NSC 9363, h-dl-trp(5-f)-oh, AC1L1TCM, DL-Tryptophan, 5-fluoro-, 5-22-14-00116 (Beilstein Handbook Reference), SCHEMBL125000, 5-Fluoro-DL-tryptophan, powder, CHEBI:77837, CTK8F6844, NSC9363, PC4377Z, KS-00003QU1, NSC-9363, ZX-AP000588, 5854AH, MFCD00005649, SBB003340, AKOS002663102, AKOS016042907, Tryptophan, 5-fluoro- (8CI)(9CI), CF-1034, MCULE-6908956290, PS-6615, VZ30348, AK307811, AK477276, LS-158139, FT-0620419, ST50308277, K-4867, SR-01000003308, SR-01000003308-1, I14-86316, 5-Fluoro-L-tryptophan, UNII-5IC9663SHW, C11H11FN2O2, 5IC9663SHW, QNZ (EVP4593), CID9577, C11-H11-F-N2-O2, 5-Fluorotryptophan, 97% - 1G 1g, F0896, (S)-2-Amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid, (R)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid, 16626-02-1, (2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid, 97749-24-1, 545380-34-5,

Complexity	275
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.08g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	222.219g/mol
Monoisotopic Mass	222.08g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

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

Lot Number