L-N6-(1-Iminoethyl) Lysine 5-Tetrazole Amide, Dihydrochloride
Catalog: |
BB056301 |
Product Name: |
L-N6-(1-Iminoethyl) Lysine 5-Tetrazole Amide, Dihydrochloride |
Synonyms: |
(2S)-2-Amino-6-[(1-iminoethyl)amino]-N-(1H-tetrazol-5-yl) Hexanamide, Hydrate Dihydrochloride |
IUPAC Name: | (2S)-2-amino-6-(1-aminoethylamino)-N-(2H-tetrazol-5-yl)hexanamide |
Description: | L-N6-(1-Iminoethyl) Lysine 5-Tetrazole Amide, Dihydrochloride (cas# 1322625-19-3) is a compound useful in organic synthesis. |
Molecular Weight: | 329.23 |
Molecular Formula: | C9H22Cl2N8O |
Canonical SMILES: | CC(N)NCCCCC(C(=O)NC1=NNN=N1)N |
InChI: | InChI=1S/C9H20N8O/c1-6(10)12-5-3-2-4-7(11)8(18)13-9-14-16-17-15-9/h6-7,12H,2-5,10-11H2,1H3,(H2,13,14,15,16,17,18)/t6?,7-/m0/s1 |
InChI Key: | AGEDBFMDKGPUEN-MLWJPKLSSA-N |
Solubility: | Water |
Appearance: | Tan Powder |
References: | Hallinan, E.A., et al. J. Med. Chem., 45, 1686 (2002). |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.17600729 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 5 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.17600729 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 148Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.7 |
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