AG00IAOA

60259-81-6 | L-​Ornithine, acetate (1:1)

AG00IAOA

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CAS Number	60259-81-6
Catalog Number	AG00IAOA(AGN-PC-0OD2PJ)
Chemical Name	L-​Ornithine, acetate (1:1)
EC Number	262-130-6
IUPAC Name	acetic acid;(2S)-2,5-diaminopentanoic acid
InChI	InChI=1S/C5H12N2O2.C2H4O2/c6-3-1-2-4(7)5(8)9;1-2(3)4/h4H,1-3,6-7H2,(H,8,9);1H3,(H,3,4)/t4-;/m0./s1
InChI Key	PHEDTXJYYFZENX-WCCKRBBISA-N
MDL Number	MFCD00077444
Molecular Formula	C7H16N2O4
Molecular Weight	192.2129
SMILES	O=C(O)[C@@H](N)CCCN.CC(O)=O
UNII	7B9951QUVL
Synonyms	L-Ornithine acetate, 60259-81-6, (S)-2,5-Diaminopentanoic acid compound with acetic acid (1:1), UNII-7B9951QUVL, 7B9951QUVL, acetic acid; (2S)-2,5-diaminopentanoic acid, EINECS 262-130-6, L-Ornithine, monoacetate, SCHEMBL535528, AC1O58E9, DTXSID40209010, PHEDTXJYYFZENX-WCCKRBBISA-N, MFCD00077444, AKOS016011214, AC-7506, AN-8923, DS-6598, AX8136682, FT-0627978, 259O816, ornithine acetate, L-Ornithineacetate, C7H16N2O4, C5H12N2O2.C2H4O2, L-Ornithine Ethyl ester Dihydrochloride, NSC118015, ACN-037016, CID6453938, C5-H12-N2-O2.C2-H4-O2,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	192.111g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	192.215g/mol
Monoisotopic Mass	192.111g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	127A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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

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