Name | stachydrine |
Synonyms | Cadabine stachydrine N,N-Dimethyl-L-proline Methyl hygrate betaine 1-Methylproline methylbetaine 1,1-dimethylpyrrolidinium-2-carboxylate (2s)-1,1-dimethylpyrrolidinium-2-carboxylate (2S)-1,1-Dimethyl-2-carboxylatopyrrolidin-1-ium (2S)-2-Carboxylato-1,1-dimethylpyrrolidin-1-ium (Pyrrolidinium, 2-carboxy-1,1-dimethyl-, innersalt, (2S)- (S)-2-Carboxy-1,1-dimethylpyrrolidinium hydroxide inner salt |
CAS | 471-87-4 |
EINECS | 207-445-1 |
InChI | InChI=1/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/t6-/m0/s1 |
Molecular Formula | C7H14NO2 |
Molar Mass | 144.19 |
Density | 1.1095 (rough estimate) |
Melting Point | 235°C |
Boling Point | 261.28°C (rough estimate) |
Specific Rotation(α) | [α]D23-44.3° (c=4.175,water) |
Solubility | Soluble in water, methanol, ethanol, dilute acid, hot chloroform, almost insoluble in ether, acetone, cold chloroform and petroleum ether. |
Appearance | White needle crystal (acetone) |
Storage Condition | 2-8°C |
Refractive Index | 1.4150 (estimate) |
MDL | MFCD09837899 |
Physical and Chemical Properties | White needle crystal (acetone), melting point 238~240 ℃,[α]D23-44.3 (c = 4.175, water), soluble in water, methanol, ethanol, dilute acid, hot chloroform, almost insoluble in ether, acetone, cold chloroform and petroleum ether. Hydrochloride, large prism (anhydrous ethanol), melting point 235 ℃ (decomposition),[α]D23-27 (c = 1.1, water), soluble in water, soluble in 13 parts of ethanol. IRνKBrmaxcm-1: 3450,1620,1480,1400,1370,1340,1320,1020,1000,960. 1HNMR (TFA) δ: 2.25~3.15 (4H,m,-(CH2)2-),3.45 (3H,s,N-CH3),3.53 (3H,N-CH3),3.7-4.0 (2H,m,N-CH2-),4.4~4.7 (1H,m,C-H). MS m/z: 143 (M ),141,129,126,98,84,82,58,56,44,42. |
HS Code | 29214980 |
Reference Show more | 1. Yu Yue, Liu Jing, Deng Bo, etc. Effects of exogenous root exudates on rhizobia symbiotic system of Medicago sativa [J]. Journal of Grassland Science, 2020. 2. [IF = 9.642] Shan Huang et al."Identification and quantitative chemical analysis of betaines in different organic waves and their bioconversion composites." Bioresource Technol. 2021 May;328:124857 3. [IF=3.645] Aijin Shen et al."Chemical profiling of Qingfei Paidu Decoction by triplex off-line two-dimensional liquid chromatography coupled with quadrupole time-of-flight mass spectrometry."Journal Of Separation Science. 2022 Jan 09 |