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(S)-2-Methylpiperazine tartrate (126458-15-9)

Identification
Name:(S)-2-Methylpiperazine tartrate
Synonyms:(S)-2-METHYLPIPERAZINE (D) TARTARIC ACID SALT;Butanedioic acid, 2,3-dihydroxy-, (2S,3S)-, compd. with (2S)-2-methylpiperazine (1:1);(2S,3S)-2,3-Dihydroxysuccinic acid - (2S)-2-methylpiperazine (1:1);
CAS:126458-15-9
Molecular Formula: C5H12N2.C4H7O6
Molecular Weight: 286.71
InChI: InChI=1/C5H12N2.2ClH/c1-5-4-6-2-3-7-5;;/h5-7H,2-4H2,1H3;2*1H/t5-;;/m0../s1
Molecular Structure: (C5H12N2.C4H7O6) (S)-2-METHYLPIPERAZINE (D) TARTARIC ACID SALT;Butanedioic acid, 2,3-dihydroxy-, (2S,3S)-, compd. wit...
Properties
Specification:

This chemical is called (S)-2-Methylpiperazine tartrate, and its systematic name is (2S)-2-methylpiperazine 2,3-dihydroxybutanedioate (salt). With the molecular formula of C5H12N2.C4H7O6, its molecular weight is 286.71. In addition, the CAS registry number of this chemical is 126458-15-9.
 
Other characteristics of the (S)-2-Methylpiperazine tartrate can be summarised as followings: (1)ACD/LogP: -1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.86; (4)ACD/LogD (pH 7.4): -6.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 71.06 Å2; (13)Flash Point: 209.4 °C; (14)Enthalpy of Vaporization: 75.13 kJ/mol; (15)Boiling Point: 399.3 °C at 760 mmHg; (16)Vapour Pressure: 4.93E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(O)[C@@H](O)[C@H](O)C(=O)O.N1C[C@@H](NCC1)C
(2)InChI: InChI=1/C5H12N2.C4H6O6/c1-5-4-6-2-3-7-5;5-1(3(7)8)2(6)4(9)10/h5-7H,2-4H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t5-;1-,2-/m00/s1
(3)InChIKey: LFFWDZALERPTKN-VEKTXOQJBE
(4)Std. InChI: InChI=1S/C5H12N2.C4H6O6/c1-5-4-6-2-3-7-5;5-1(3(7)8)2(6)4(9)10/h5-7H,2-4H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t5-;1-,2-/m00/s1

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