(3s)-1,3-Dimethylpiperazine Dihydrochloride - CAS 1152110-30-9

Catalog:	BB068274
Product Name:	(3s)-1,3-Dimethylpiperazine Dihydrochloride
CAS:	1152110-30-9
Synonyms:	(S)-1,3-Dimethylpiperazine dihydrochloride; (3S)-1,3-dimethylpiperazine dihydrochloride; (3S)-1,3-dimethylpiperazine; dihydrochloride; (S)-1,3-Dimethylpiperazine 2HCl; (S)-1,3-DIMETHYL-PIPERAZINE DIHYDROCHLORIDE; Piperazine, 1,3-dimethyl-, hydrochloride (1:2), (3S)-

Technical Data

IUPAC Name:	(3S)-1,3-dimethylpiperazinedihydrochloride
Description:	(3s)-1,3-Dimethylpiperazine Dihydrochloride is useful for the preparation of triazolopyrimidine compounds, which get evaluated for anti-cancer activity.
Molecular Weight:	114.19 + 2(36.46)
Molecular Formula:	C6H14N2·2HCl
Canonical SMILES:	CC1CN(CCN1)C.Cl.Cl
InChI:	InChI=1S/C6H14N2.2ClH/c1-6-5-8(2)4-3-7-6/h6-7H,3-5H2,1-2H32*1H/t6-/m0../s1
InChI Key:	ADCWAVJWPWKDRK-ILKKLZGPSA-N
Melting Point:	>217oC (dec.)
Solubility:	DMSO (Slightly), Water (Slightly)
Appearance:	Pale Brown to Light Brown Solid
Storage:	-20°C Freezer, Under inert atmosphere
References:	Goldberg, F. W., PCT Int. Appl. (2019), WO 2019215316 A1.

Complexity:	72.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0690539
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	186.0690539
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0