AG00F9XL

67-07-2 | 2-(3-methyl-1-phosphonocarbamimidamido)acetic acid

AG00F9XL

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CAS Number	67-07-2
Catalog Number	AG00F9XL(AGN-PC-0OFYVK)
Chemical Name	2-(3-methyl-1-phosphonocarbamimidamido)acetic acid
EC Number	200-643-9
IUPAC Name	2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetic acid
InChI	InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)
InChI Key	DRBBFCLWYRJSJZ-UHFFFAOYSA-N
MDL Number	MFCD00152044
Molecular Formula	C4H10N3O5P
Molecular Weight	211.1131
SMILES	O=C(O)CN(C)C(NP(O)(O)=O)=N
UNII	020IUV4N33
Synonyms	Creatine Phosphate, Disodium Salt Phosphocreatine, Neoton, Phosphate, Creatine, Phosphocreatine, Phosphocreatine, Disodium Salt, Phosphorylcreatine, phosphocreatine, Creatine phosphate, phosphorylcreatine, 67-07-2, N-phosphocreatine, fosfocreatine, N-(Phosphonoamidino)sarcosine, N-Phosphorylcreatine, creatine-P, Creatinephosphoric acid, UNII-020IUV4N33, C4H10N3O5P, Creatine phosphic acid, EINECS 200-643-9, N-(N-Phosphonoamido)sarcosine, N-(phosphonoamidino)-Sarcosine, CHEBI:17287, 020IUV4N33, Glycine, N-(imino(phosphonoamino)methyl)-N-methyl-, Glycine, N-[imino(phosphonoamino)methyl]-N-methyl-, W-104734, N-Phosphorocreatine, 2-(1-Methyl-3-phosphonoguanidino)acetic acid, [[imino(phosphonoamino)methyl](methyl)amino]acetic acid, {[imino(phosphonoamino)methyl](methyl)amino}acetic acid, Neoton, AC1Q6RGH, N(omega)-Phosphonocreatine, bmse000079, 2-[methyl-(N'-phosphonocarbamimidoyl)amino]acetic acid, CHEMBL1204644, DTXSID0058776, DRBBFCLWYRJSJZ-UHFFFAOYSA-N, KM1062, MFCD00152044, STL452993, AKOS027340220, DB13191, AS-12479, LS-176562, N-methyl-N-(N-phosphonocarbamimidoyl)glycine, C02305, N-[imino(phosphonoamino)methyl]-N-methyl-Glycine, 067C072, 2-(1-methyl-3-phosphonocarbamimidamido)acetic acid, Phosphagen, neo-ton, P-creatine, Creatinephosphate, creatine-phosphate, C4-H10-N3-O5-P, AR-1K9745, CID9548602, N-[imino(phosphonoamino)methyl]-N-methylglycine, PC, 7268-92-0,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	211.036g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	211.114g/mol
Monoisotopic Mass	211.036g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	136A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.6

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

Lot Number