tert-Butyl 5-amino-1,2,3,6-tetrahydropyrazine-1-carboxylate Dihydrochloride - CAS 1795355-98-4
Catalog: |
BB071094 |
Product Name: |
tert-Butyl 5-amino-1,2,3,6-tetrahydropyrazine-1-carboxylate Dihydrochloride |
CAS: |
1795355-98-4 |
Synonyms: |
tert-butyl 5-amino-1,2,3,6-tetrahydropyrazine-1-carboxylate dihydrochloride; tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylate; dihydrochloride; tert-butyl5-amino-1,2,3,6-tetrahydropyrazine-1-carboxylatedihydrochloride |
IUPAC Name: | tert-butyl 6-amino-3,5-dihydro-2H-pyrazine-4-carboxylatedihydrochloride |
Molecular Weight: | 199.25 + 2(36.46) |
Molecular Formula: | C9H17N3O2·2(HCl) |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN=C(C1)N.Cl.Cl |
InChI: | InChI=1S/C9H17N3O2.2ClH/c1-9(2,3)14-8(13)12-5-4-11-7(10)6-12/h4-6H2,1-3H3,(H2,10,11)2*1H |
InChI Key: | WUHXHYZQLFXXHF-UHFFFAOYSA-N |
References: | Chobanian, H., et al. PCT Int. Appl., WO 2015095097 A2 20150625 (2015). |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.0854322 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.0854322 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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