AG003JU0

368-16-1 | (S)-2-Amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid

AG003JU0

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CAS Number	368-16-1
Catalog Number	AG003JU0(AGN-PC-0O9DSC)
Chemical Name	(S)-2-Amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid
EC Number	206-704-6
IUPAC Name	(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid
InChI	InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
InChI Key	JDHILDINMRGULE-LURJTMIESA-N
MDL Number	MFCD08273564
Molecular Formula	C7H11N3O2
Molecular Weight	169.1811
SMILES	O=C(O)[C@@H](N)CC1=CN=CN1C
UNII	MEH8O8Y0H0
Synonyms	3-methylhistidine, 3-methylhistidine dihydrochloride, 3-methylhistidine hydride, N tau-methylhistidine, N(tau)-methylhistidine, 3-Methyl-L-histidine, 3-Methylhistidine, 368-16-1, H-His(3-Me)-OH, L-3-Methylhistidine, (S)-2-Amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid, L-Histidine, 3-methyl-, Tau-methylhistidine, N(pi)-Methyl-L-histidine, N-pros-Methyl-L-histidine, UNII-MEH8O8Y0H0, N(pai)-Methyl-L-histidine, N(pros)-methyl-L-histidine, MEH8O8Y0H0, (2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid, 3-N-Methyl-L-histidine, pi-Methyl-L-histidine, 3,methylhistidine, EINECS 206-704-6, 1-Methylhistidine #, Tau-Methyl-L-histidine, (2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid, AC1L22BK, Histidine, 3-methyl-, L-, SCHEMBL28560, N1-METHYLATED HISTIDINE, 1-Methyl-L-histidine (archaic), CHEBI:27596, CTK1C4795, JDHILDINMRGULE-LURJTMIESA-N, ZINC895514, MFCD00083658, AKOS006274125, 3-(1-Methylimidazol-5-yl)-L-alanine, CS-W017723, HY-W017007, RTX-010880, AJ-24197, AS-49168, DB-048378, FT-0632052, C01152, K-8188, 15769-EP2269992A1, 15769-EP2270002A1, 15769-EP2275102A1, 15769-EP2277865A1, 15769-EP2316470A2, I14-33147, (2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoate, 1-Methylhistidine, N-Methyl-L-histidine, H-His(-Me)-OH, N3-Methyl-L-histidine, |Eth-Methyl-L-histidine, CID64969, C7-H11-N3-O2, 332-80-9, 24886-03-1,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	169.085g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	169.184g/mol
Monoisotopic Mass	169.085g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	81.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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