Ectoine

CAS	96702-03-3
Structure
Synonyms	(S)-1,4,5,6-Tetrahydro-2-methyl-4-pyrimidincarbonsure
IUPAC Name	(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
Molecular Weight	142.16
Molecular Formula	C6H10N2O2
Canonical SMILES	CC1=NCC[C@H](N1)C(=O)O
InChI	InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
InChI Key	WQXNXVUDBPYKBA-YFKPBYRVSA-N
Melting Point	280 °C
Flash Point	184.5ºC
Purity	98%
Density	1.37 g/ml
Refractive Index	1.596
pKa	3.14±0.20
pH	6-8
Appearance	White powder