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Tranexamic acid-13C2,15N

CAT: 0127-OR1075448Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1292837-95-6
Purity
98%
Smiles
O[13C]([C@@H]1CC[C@H](CC1)[13CH2][15NH2])=O

Chemical Information

Tranexamic Acid-13C2,15N
CAS Number1292837-95-6
PubChem CID71752655
IUPAC Name4-((15N)azanyl(113C)methyl)cyclohexane-1-carboxylic acid
Molecular FormulaC8H15NO2
Molecular Weight160.19
XLogP-2
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity139
SMILES
C1CC(CCC1[13CH2][15NH2])[13C](=O)O
InChI
InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/i5+1,8+1,9+1
InChIKey
GYDJEQRTZSCIOI-XGOBPNGOSA-N
Chemical Structure
2D Structure
2D structure of Tranexamic Acid-13C2,15N
CAS: 1292837-95-6
CID: 71752655
Formula: C8H15NO2
MW: 160.19
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight160.19
XLogP3-2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass160.11402329
Monoisotopic Mass160.11402329
Topological Polar Surface Area63.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity139
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes