6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine Dihydrochloride - CAS 157327-51-0
Catalog: |
BB062953 |
Product Name: |
6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine Dihydrochloride |
CAS: |
157327-51-0 |
Synonyms: |
6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine dihydrochloride; 6,7-DIHYDRO-5H-PYRROLO[3,4-D]PYRIMIDINE 2HCL; 6,7-Dihydro-5h-pyrrolo[3,4-d]pyrimidine DiHCl; 5H,6H,7H-pyrrolo[3,4-d]pyrimidine dihydrochloride; 6,7-DIHYDRO-5H-PYRROLO-[3,4-D]-PYRIMIDINE DIHYDROCHLORIDE |
IUPAC Name: | 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidinedihydrochloride |
Description: | 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine Dihydrochloride is a useful reagent for synthesis of the bicyclic secondary amines via dimethylaminomethylene derivatives of 3-pyrrolidone and 3-piperidone. |
Molecular Weight: | 121.14 + 2(36.46) |
Molecular Formula: | C6H7N3·2(HCl) |
Canonical SMILES: | C1C2=CN=CN=C2CN1.Cl.Cl |
InChI: | InChI=1S/C6H7N3.2ClH/c1-5-2-8-4-9-6(5)3-7-1/h2,4,7H,1,3H22*1H |
InChI Key: | VGQSNQPVXPPLEH-UHFFFAOYSA-N |
References: | Fukui, H., et al. Heterocycles, 56, 257 (2002). |
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: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.0173527 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0173527 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 37.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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