Products Categories
| CAS No.: | 55314-16-4 |
|---|---|
| Name: | 1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one |
| Article Data: | 88 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H12N2O |
| Molecular Weight: | 176.218 |
| Synonyms: | 3-(Dimethylamino)-1-(3-pyridinyl)-2-propen-1-one;3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one;3-Dimethylamino-1-(pyridin-3-yl)propenone; |
| EINECS: | 1533716-785-6 |
| Density: | 1.071 g/cm3 |
| Melting Point: | 86-88 °C |
| Boiling Point: | 281.442 °C at 760 mmHg |
| Flash Point: | 124.012 °C |
| Appearance: | Off-White Solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 33.20000 |
| LogP: | 1.33960 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
What can I do for you?
Get Best Price
Specification
The 1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one, with the CAS registry number 55314-16-4, is also known as 3-Dimethylamino-1-(pyridin-3-yl)propenone. It belongs to the product categories of Heterocycles; Chemical Amines; Amines; Bases & Related Reagents; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals. This chemical's molecular formula is C10H12N2O and molecular weight is 176.21. What's more, its systematic name is 3-(Dimethylamino)-1-(3-pyridinyl)-2-propen-1-one. This chemical is used as a kind of imatinib intermediate.
Physical properties of 1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one are: (1)ACD/LogP: 0.971; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 3.04; (7)ACD/KOC (pH 5.5): 14.45; (8)ACD/KOC (pH 7.4): 75.80; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 33.2 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 52.05 cm3; (15)Molar Volume: 164.576 cm3; (16)Polarizability: 20.634×10-24cm3; (17)Surface Tension: 42.0 dyne/cm; (18)Density: 1.071 g/cm3; (19)Flash Point: 124.012 °C; (20)Enthalpy of Vaporization: 52.024 kJ/mol; (21)Boiling Point: 281.442 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C=CN(C)C)c1cccnc1
(2)Std. InChI: InChI=1S/C10H12N2O/c1-12(2)7-5-10(13)9-4-3-6-11-8-9/h3-8H,1-2H3
(3)Std. InChIKey: MZLRFUCMBQWLNV-UHFFFAOYSA-N
-
Premium Related Products
