AG0032T9

332-80-9 | 1-Methyl-L-histidine

AG0032T9

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CAS Number	332-80-9
Catalog Number	AG0032T9(AGN-PC-0WAEPQ)
Chemical Name	1-Methyl-L-histidine
EC Number	206-368-0
IUPAC Name	(2S)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid
InChI	InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
InChI Key	BRMWTNUJHUMWMS-LURJTMIESA-N
MDL Number	MFCD00005295
Molecular Formula	C7H11N3O2
Molecular Weight	169.1811
SMILES	CN1C=C(C[C@H](N)C(=O)O)N=C1
UNII	583O01BJ32
Synonyms	1-methylhistidine, 1-methylhistidine dihydrochloride, 1-Methyl-L-histidine, 332-80-9, 1-Methylhistidine, L-1-Methylhistidine, pi-methylhistidine, N1-Methyl-L-histidine, 4-Methyl-Histidine, H-His(1-Me)-OH, 1 methylhistidine, 1-Methyl-Histidine, (S)-2-Amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid, UNII-583O01BJ32, 1-MHis, 1-N-Methyl-L-histidine, CHEBI:50599, BRMWTNUJHUMWMS-LURJTMIESA-N, L-Histidine, 1-methyl- (9CI), 1-methyl histidine, Histidine, 1-methyl-, L- (8CI), 583O01BJ32, L-Histidine, 1-methyl-, (2S)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid, N-Methyl-His-OH, EINECS 206-368-0, NSC 524367, N|O-Methyl-His-OH, H-His(tau-Me)-OH, Ntau-Methyl-L-histidine, AC1L3NFD, AC1Q5QKF, Histidine, N-tau-methyl-, bmse000449, N(tele)-methyl-L-histidine, Histidine, 1-methyl-, L-, SCHEMBL52216, CHEMBL1233327, 3-Methyl-L-histidine (archaic), CTK1C4746, DTXSID50186848, KS-000018PS, ZINC2563973, ANW-60602, MFCD00005295, AKOS016843072, 3-(1-Methylimidazol-4-yl)-L-alanine, CS-W017722, DB04151, HY-W017006, AJ-40984, AN-44358, BC675194, 1-Methyl-L-histidine, >=98.0% (TLC), DB-008068, TC-149347, FT-0631972, ST24035942, V0979, 332M809, J-019123, ABB55D30-E94C-412D-9B7A-E423FA8C1620, (2S)-2-amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid, HIC, InChI=1/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s, 3-Methyl-L-histidine, Ntau-Methyl-His-OH, N3-Methyl-L-histidine, |Eth-Methyl-L-histidine, C7H11N3O2, Ntau-Methyl-His-OH - 1G 1g, [S]-1-Methylimidazole-5-alanine, CID92105, AR-1J2907, C7-H11-N3-O2, A7202, 368-16-1, (S)-2-Amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid; 1-Methyl-L-histidine; 1-Methylhistidine; 1-N-Methyl-L-histidine; N1-Methyl-L-histidine, 384-66-7,

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 statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
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