2,2-Difluoropropane-1,3-Diamine Dihydrochloride - CAS 133186-53-5
Catalog: |
BB062967 |
Product Name: |
2,2-Difluoropropane-1,3-Diamine Dihydrochloride |
CAS: |
133186-53-5 |
Synonyms: |
2,2-Difluoro-1,3-diaminopropane Dihydrochloride; 2,2-Difluoropropane-1,3-diamine Dihydrochloride |
IUPAC Name: | 2,2-difluoropropane-1,3-diaminedihydrochloride |
Description: | 2,2-Difluoropropane-1,3-Diamine Dihydrochloride is used in preparation of Biphenyl Pyrazines as PD-1/PD-L1 inhibitors for treating cancer. |
Molecular Weight: | 110.11 + 2 (36.46) |
Molecular Formula: | C3H8N2F2·2(HCl) |
Canonical SMILES: | C(C(CN)(F)F)N.Cl.Cl |
InChI: | InChI=1S/C3H8F2N2.2ClH/c4-3(5,1-6)2-7/h1-2,6-7H22*1H |
InChI Key: | FSKGUQBJHKBPLI-UHFFFAOYSA-N |
References: | Aktoudianakis, E., et al. PCT Int. Appl., (2019). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 48.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.01891 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.01891 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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