AG005M46

6903-79-3 | 2-(1-Methylguanidino)ethyl dihydrogen phosphate

AG005M46

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CAS Number	6903-79-3
Catalog Number	AG005M46(AGN-PC-0JKGZV)
Chemical Name	2-(1-Methylguanidino)ethyl dihydrogen phosphate
EC Number	230-011-8
IUPAC Name	2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate
InChI	InChI=1S/C4H12N3O4P/c1-7(4(5)6)2-3-11-12(8,9)10/h2-3H2,1H3,(H3,5,6)(H2,8,9,10)
InChI Key	FOIPWTMKYXWFGC-UHFFFAOYSA-N
MDL Number	MFCD00868297
Molecular Formula	C4H12N3O4P
Molecular Weight	197.1295
SMILES	NC(N(C)CCOP(O)(O)=O)=N
UNII	5O564RN1QD
Synonyms	Aplodan, creatinol phosphate, creatinol phosphate, magnesium salt (2:1), creatinol-O-phosphate, creatinolfosfat, N-(2-hydroxyethyl)-N-methylguanidine dihydrogen phosphate, 6903-79-3, Creatinolfosfate, 2-(1-Methylguanidino)ethyl dihydrogen phosphate, Creatinol phosphate, Aplodan, Creatinol O-phosphate, Creatinolfosfate [INN], UNII-5O564RN1QD, Creatinolfosfatum [INN-Latin], Creatinolfosfato [INN-Spanish], Creatinolo O-fosfato [Italian], EINECS 230-011-8, BRN 1911880, 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate, 5O564RN1QD, N-Methyl-N-(2-(phosphonooxy)ethyl)guanidine, 1-(2-Hydroxyethyl)-1-methylguanidine dihydrogen phosphate (ester), N-Methyl-N-(beta-hydroxyethyl)guanidine O-phosphate, AK-51337, creatinol-O-phosphate, Creatinolfosfate (INN), N-Methyl-N-(beta-hydroxyaethyl)guanidine-O-phosphat [German], GUANIDINE, 1-(2-HYDROXYETHYL)-1-METHYL-, DIHYDROGEN PHOSPHATE (ester), Nergize, Gipron, Creatinolfosfato, Creatinolfosfatum, Creatinolo O-fosfato, 1-[2-(Phosphonooxy)ethyl]-1-methylguanidine, C4H12N3O4P, PubChem23686, 2-(1-Methylguanidino)ethyl dihydrogenphosphat, SCHEMBL672284, N-Methyl-N-(beta-hydroxyaethyl)guanidine-O-phosphat, AC1L2M54, CHEMBL2104114, CTK8B5777, KS-00000FYI, DTXSID50219100, CHEBI:134856, FOIPWTMKYXWFGC-UHFFFAOYSA-N, ZINC2029729, ANW-50065, MFCD00868297, AKOS006273435, API0006446, DB13071, AJ-32882, AN-25471, AS-18502, CC-25995, LS-73707, SC-22097, AB0026265, AX8122377, TR-022988, 4CH-007166, FT-0656062, ST24027431, W7891, D07162, 903C793, A836322, C-23793, Guanidine, N-methyl-N-(2-(phosphonooxy)ethyl)-,, SR-01000945068, 1-(2-Hydroxyethyl)-1-methylguanidine dihydrogen ph, I14-6987, SR-01000945068-1, BRD-K42991124-001-01-4, Guanidine, N-methyl-N-(2-(phosphonooxy)ethyl)-, (9CI), 2-[[Amino(imino)methyl](methyl)amino]ethyl dihydrogen phosphate, creatinolfosfat, CID23342, C4-H12-N3-O4-P, creatinol phosphate, magnesium salt (2:1), C2767, 1-(2-Hydroxyethyl)-1-methylguanidine dihydrogen phosphate, Guanidine, N-methyl-N-[2-(phosphonooxy)ethyl]-, C100173, N-(2-hydroxyethyl)-N-methylguanidine dihydrogen phosphate, COP,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.057g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	197.131g/mol
Monoisotopic Mass	197.057g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	120A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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