
CAS Number130636-43-0
Synonyms6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-quinone; NIFEKALANT [6-((2-((2-HYDROXYETHYL)(3-(P-NITROPHENYL)PROPYL)AMINO)ETHYL)AMINO)-1,3-DIMETHYL-URACIL]; Nifekalant HCl; 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-dione; Shinbit; MFCD00892243; 6-((2-((2-hydroxyethyl)(3-(p-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethyl-uracil; Nifekalant Hydrochloride
Molecular FormulaC19H28ClN5O5
Molecular Weight441.909
Purity98%
Density1.32 g/cm3
Boiling Point597.9ºC at 760 mmHg
Melting Point117.5-118.5ºC
Appearancecrystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 130636-43-0 |
| Catalog No. | 2A-9011653 |
| Chinese Name | 尼非卡兰 |
| Synonyms | 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-quinone; NIFEKALANT [6-((2-((2-HYDROXYETHYL)(3-(P-NITROPHENYL)PROPYL)AMINO)ETHYL)AMINO)-1,3-DIMETHYL-URACIL]; Nifekalant HCl; 6-[2-[2-hydroxyethyl-[3-(4-nitrophenyl)propyl]amino]ethylamino]-1,3-dimethyl-pyrimidine-2,4-dione; Shinbit; MFCD00892243; 6-((2-((2-hydroxyethyl)(3-(p-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethyl-uracil; Nifekalant Hydrochloride |
| Molecular Formula | C19H28ClN5O5 |
| Molecular Weight | 441.909 |
| Purity | 98 |
| Density | 1.32 g/cm3 |
| Boiling Point | 597.9ºC at 760 mmHg |
| Melting Point | 117.5-118.5ºC |
| Appearance | crystal |
| SMILES | Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O |
| InChI | InChI=1S/C19H27N5O5/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29/h5-8,14,20,25H,3-4,9-13H2,1-2H3 |
| InChI Key | OEBPANQZQGQPHF-UHFFFAOYSA-N |
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