Chemical Properties of Histamine, N-trifluoroacetyl (CAS 50580-77-3)

InChI

InChI=1S/C7H8F3N3O/c8-7(9,10)6(14)12-2-1-5-3-11-4-13-5/h3-4H,1-2H2,(H,11,13)(H,12,14)

InChI Key

PXVLTDFDQSOFMJ-UHFFFAOYSA-N

Formula

C7H8F3N3O

SMILES

O=C(NCCc1c[nH]cn1)C(F)(F)F

Molecular Weight¹

207.15

CAS

50580-77-3

Other Names

• Histamine, N'-trifluoroacetyl-

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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Similar Compounds

Find more compounds similar to Histamine, N-trifluoroacetyl.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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