HDMC - CAS 1082951-62-9
Catalog: |
BB002237 |
Product Name: |
HDMC |
CAS: |
1082951-62-9 |
Synonyms: |
HDMC; 6-HDMCB; (5-Chloro-3-oxo-1H-1lambda-5,2,3-benzotriazol-1-yl)-N,N-dimethyl(morpholin-4-yl)methaniminium hexafluorophosphate; SCHEMBL21223097; DTXSID00746375; BCP29166; N-[(5-Chloro-3-oxido-1H-benzotriazol-1-yl)-4-morpholinylmethylene]-N-methylmethanaminium hexafluorophosphate |
IUPAC Name: | [(5-chloro-3-oxidobenzotriazol-3-ium-1-yl)-morpholin-4-ylmethylidene]-dimethylazanium;hexafluorophosphate |
Description: | HDMC is a reagent used in preparation of COMU as a more effective peptide coupling reagent than benzotriazole-based uronium compounds in peptide synthesis. |
Molecular Weight: | 455.72 |
Molecular Formula: | C13H17ClF6N5O2P |
Canonical SMILES: | C[N+](=C(N1CCOCC1)N2C3=C(C=C(C=C3)Cl)[N+](=N2)[O-])C.F[P-](F)(F)(F)(F)F |
InChI: | InChI=1S/C13H17ClN5O2.F6P/c1-16(2)13(17-5-7-21-8-6-17)18-11-4-3-10(14)9-12(11)19(20)15-18;1-7(2,3,4,5)6/h3-4,9H,5-8H2,1-2H3;/q+1;-1 |
InChI Key: | MGRTWUAUKJMOER-UHFFFAOYSA-N |
Melting Point: | 165-175 °C |
Purity: | > 95 % (HPLC) |
Appearance: | White solid powder |
Storage: | 2-8 °C |
LogP: | 4.24690 |
Publication Number | Title | Priority Date |
CN-112562040-A | Spark-based high-performance calculation method for mass two-tone and three-tone data result flow | 20201224 |
KR-102221454-B1 | Method for preparing liraglutide with environment-friendly solvent | 20200518 |
WO-2021154997-A1 | Inhibitors of apol1 and methods of using same | 20200129 |
WO-2021122356-A1 | Process for preparing fluralaner | 20191217 |
WO-2021053476-A1 | Process for preparation of diroximel fumarate | 20190916 |
Complexity: | 474 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 455.0712585 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 455.0712585 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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