ectoine NEW

English name: Ectoine

CAS number: 96702-03-3

Molecular formula: C6H10N2O2

Molecular weight: 142.16

EINECS number: 431-910-1

MDL No. : MFCD03419286

Stats

Melting point ~280°

Specific rotation D20 +140° (c = 1.0 in methanol)

Boiling point 381.5±35.0 °C(Predicted)

Density 1.37

Storage conditions 2-8°C

Solubility methanol: 20 mg/mL, clear, colorless

Form Solid

Acidity coefficient (pKa)3.14±0.20(Predicted)

Color White to Off-White

Water solubility: 250 mg/mL (1758.58 mM)

BRN7288977

Stability Hygroscopic

InChIInChI = 1 s/C6H10N2O2 / c1-4-7-3-2-5 (8-4) 6 (9) 10 / h5H, 2-3 h2, h3, 1 (H, 7, 8) (9, 10) H, / t5 - / m0 / s1

InChIKeyWQXNXVUDBPYKBA-YFKPBYRVSA-N

SMILESC1(C)=NCC[C@@H](C(O)=O)N1

Safety information

Hazard category code 36/37/38

Safety Instructions 26-36

WGK Germany1

Customs Code 2933.59.9500