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| CAS No.: | 1596-84-5 |
|---|---|
| Name: | Daminozide |
| Molecular Structure: | |
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| Formula: | C6H12N2O3 |
| Molecular Weight: | 160.173 |
| Synonyms: | Butanedioicacid, mono(2,2-dimethylhydrazide) (9CI);Succinic acid,mono(2,2-dimethylhydrazide) (8CI);Daminozide;Alar 85;Aminozide;B-Nine;DIMG;DMASA;DYaK;Dazide;Dimas;Kylar;SuccinicN',N'-dimethylhydrazide;Succinic acid N,N-dimethylhydrazide; |
| EINECS: | 216-485-9 |
| Density: | 1.183 g/cm3 |
| Melting Point: | 162-164 °C(lit.) |
| Boiling Point: | 286.06°C (rough estimate) |
| Solubility: | Soluble in water, insoluble in hydrocarbons |
| Appearance: | white crystal powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 40 |
| Safety: | 36/37 |
| PSA: | 69.64000 |
| LogP: | -0.16510 |
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| Conditions | Yield |
|---|---|
| In acetonitrile Heating; | |
| With sodium benzoate; benzaldehyde In acetonitrile for 0.166667h; Reagent/catalyst; Cooling with ice; Heating; | 114 g |
- 67-56-1
methanol
- 1596-84-5
N-dimethylaminosuccinamic acid
- 28402-64-4
Bernsteinsaeure-methylester-(2,2-dimethylhydrazid)
| Conditions | Yield |
|---|---|
| With hydrogenchloride Heating; |
| Conditions | Yield |
|---|---|
| With sodium nitrate; copper(II) nitrate at 25℃; pH=5; Kinetics; Further Variations:; Reagents; |
| Conditions | Yield |
|---|---|
| With copper(II) nitrate; sodium chloride at 25℃; pH=5; Kinetics; |
| Conditions | Yield |
|---|---|
| With copper(II) nitrate; sodium chloride at 25℃; pH=5; Kinetics; Further Variations:; Reagents; |
| Conditions | Yield |
|---|---|
| With sodium nitrate; copper(II) nitrate at 25℃; pH=5; Kinetics; Further Variations:; Reagents; |
- 1596-84-5
N-dimethylaminosuccinamic acid
- 33069-62-4
taxol
- 1257204-08-2
2'-[N-(N,N-dimethylamino)succinamidoyl]taxoI
| Conditions | Yield |
|---|---|
| With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 4h; Inert atmosphere; | |
| With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 4h; Inert atmosphere; |
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Specification
The Daminozide, with the CAS registry number 1596-84-5, is also known as Daminozide. It belongs to the product categories of Miscellaneous; Plant Growth Regulator; Plant Hormones. Its EINECS number is 216-485-9. This chemical's molecular formula is C6H12N2O3 and molecular weight is 160.17. What's more, its systematic name is 4-(2,2-Dimethylhydrazino)-4-oxobutanoic acid. Its classification codes are: (1)Agricultural Chemical; (2)Growth Substances; (3)Growth regulator / Fertilizer; (4)Herbicides; (5)Mutation data; (6)Pesticides; (7)Plant growth regulators; (8)Tumor data. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, strong acids and alkali. It is a plant growth regulator, a chemical sprayed on fruit to regulate their growth, make their harvest easier, and enhance their color.
Physical properties of Daminozide are: (1)ACD/LogP: -2.161; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.77; (4)ACD/LogD (pH 7.4): -4.52; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.64 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 38.756 cm3; (15)Molar Volume: 135.391 cm3; (16)Polarizability: 15.364×10-24cm3; (17)Surface Tension: 45.3619995117188 dyne/cm; (18)Density: 1.183 g/cm3.
Preparation: With succinic acid as raw materials, it is dehydrated to get succinic anhydride, and then condensated with unsymmetrical dimethylhydrazine in acetonitrile to get the product.
When you are using this chemical, please be cautious about it as the following:
This chemical has a limited evidence of a carcinogenic effect. When using it, you need to wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NN(C)C)CCC(=O)O
(2)Std. InChI: InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
(3)Std. InChIKey: NOQGZXFMHARMLW-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | unreported | 8400mg/kg (8400mg/kg) | "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 127, 1971. | |
| mouse | LD50 | intraperitoneal | 1325mg/kg (1325mg/kg) | "Materialy Nauchnoi Konferentsii Kaunasskogo Meditsinskogo Inst., 22nd, 1972," Materials of the Scientific Conference of Kaunas Medical Institute, Vaichyuvenas, V.A., ed., Kaunas, USSR, Kaunasskii Meditsinskii Institut, 1973Vol. 22, Pg. 126, 1973. | |
| mouse | LD50 | oral | 6300mg/kg (6300mg/kg) | "Materialy Nauchnoi Konferentsii Kaunasskogo Meditsinskogo Inst., 22nd, 1972," Materials of the Scientific Conference of Kaunas Medical Institute, Vaichyuvenas, V.A., ed., Kaunas, USSR, Kaunasskii Meditsinskii Institut, 1973Vol. 22, Pg. 126, 1973. | |
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Pesticide Manual. Vol. 9, Pg. 224, 1991. | |
| rat | LC50 | inhalation | > 147gm/m3/1H (147000mg/m3) | Pesticide Manual. Vol. 9, Pg. 224, 1991. | |
| rat | LD50 | oral | 8400mg/kg (8400mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C94, 1991. |