(3S,6S)-3-(Hydroxymethyl)-6-methyl-2,5-piperazinedione supplier

Name
(3S,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione
EINECS
CAS No. 13174-73-7
Article Data14
CAS DataBase
Density 1.215 g/cm³
Solubility
Melting Point
Formula C₆H₁₀N₂O₃
Boiling Point 560.6 °C at 760 mmHg
Molecular Weight 158.16
Flash Point 292.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3S,6S)-3-(Hydroxymethyl)-6-methylpiperazine-2,5-dione;2,5-Piperazinedione, 3-(hydroxymethyl)-6-methyl-, (3S,6S)-;
PSA 85.41000
LogP -1.46640

(3S,6S)-3-(Hydroxymethyl)-6-methyl-2,5-piperazinedione Specification

The systematic name of (3S,6S)-3-(Hydroxymethyl)-6-methyl-2,5-piperazinedione is (3S,6S)-3-(Hydroxymethyl)-6-methylpiperazine-2,5-dione. With the CAS registry number 13174-73-7, it is also named as 2,5-Piperazinedione, 3-(hydroxymethyl)-6-methyl-, (3S,6S)-. The product's category is Organic Synthesis Intermediate. In addition, its molecular formula is C₆H₁₀N₂O₃ and its molecular weight is 158.16.

The other characteristics of (3S,6S)-3-(Hydroxymethyl)-6-methyl-2,5-piperazinedione can be summarized as: (1)ACD/LogP: -2.64; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 5; (4)H bond donors: 3; (5)Freely Rotating Bonds: 2; (6)Polar Surface Area: 49.85 Å²; (7)Index of Refraction: 1.47; (8)Molar Refractivity: 36.34 cm³; (9)Molar Volume: 130 cm³; (10)Polarizability: 14.4×10^-24cm³; (11)Surface Tension: 36.8 dyne/cm; (12)Density: 1.215 g/cm³; (13)Flash Point: 292.8 °C; (14)Enthalpy of Vaporization: 96.89 kJ/mol; (15)Boiling Point: 560.6 °C at 760 mmHg; (16)Vapour Pressure: 6.68E-15 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C1N[C@H](C(=O)N[C@H]1CO)C
(2)InChI:InChI=1/C6H10N2O3/c1-3-5(10)8-4(2-9)6(11)7-3/h3-4,9H,2H2,1H3,(H,7,11)(H,8,10)/t3-,4-/m0/s1
(3)InChIKey:JJDWARJCLFFKRT-IMJSIDKUBM
(4)Std. InChI:InChI=1S/C6H10N2O3/c1-3-5(10)8-4(2-9)6(11)7-3/h3-4,9H,2H2,1H3,(H,7,11)(H,8,10)/t3-,4-/m0/s1
(5)Std. InChIKey:JJDWARJCLFFKRT-IMJSIDKUSA-N

Product Name

(3S,6S)-3-(hydroxymethyl)-6-methylpiperazine-2,5-dione

(3S,6S)-3-(Hydroxymethyl)-6-methyl-2,5-piperazinedione Specification

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