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D-NMMA monoacetate

CAT: 0862-GL2499-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0862-GL2499-5mgSize:5 mg
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CAS Number
137694-75-8
Molecular Formula
C7H16N4O2 · CH3COOH
Molecular Weight
248.3
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

D-NMMA (acetate)
CAS Number137694-75-8
PubChem CID2733509
IUPAC Nameacetic acid;(2R)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid
Molecular FormulaC9H20N4O4
Molecular Weight248.28
Topological Polar Surface Area151
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity224
SMILES
CC(=O)O.CN=C(N)NCCC[C@H](C(=O)O)N
InChI
InChI=1S/C7H16N4O2.C2H4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13;1-2(3)4/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H3,(H,3,4)/t5-;/m1./s1
InChIKey
IKPNWIGTWUZCKM-NUBCRITNSA-N
Chemical Structure
2D Structure
2D structure of D-NMMA (acetate)
CAS: 137694-75-8
CID: 2733509
Formula: C9H20N4O4
MW: 248.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight248.28
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass248.14845513
Monoisotopic Mass248.14845513
Topological Polar Surface Area151 Ų
Heavy Atom Count17
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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