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

Technical Data

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:	67.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0