熔點(diǎn)

249-252°C

沸點(diǎn)

661.4±65.0 °C(Predicted)

密度

1.81±0.1 g/cm3(Predicted)

儲(chǔ)存條件

-20°C

溶解度

DMSO (Slightly), Methanol (Sparingly)

酸度系數(shù)(pKa)

14.22±0.60(Predicted)

形態(tài)

powder

顏色

white to beige

旋光度 (Optical Rotation)

[α]/D +25 to +40°, c = 0.2 in H2O

水溶解性

H2O: 0.5mg/mL, clear (warmed)

Henry's Law Constant

6.2×10¹⁵ mol/(m³Pa) at 25℃, HSDB (2015)

穩(wěn)定性

Hygroscopic

InChI

InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1

InChIKey

QDGZDCVAUDNJFG-FXQIFTODSA-N

SMILES

N1C2=C(N=C(N)NC2=O)N([C@H]2C[C@H](O)[C@@H](CO)C2=C)C=1

CAS 數(shù)據(jù)庫(kù)

209216-23-9(CAS DataBase Reference)