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| CAS No.: | 2079-89-2 |
|---|---|
| Name: | 3-AMINOPROPIONITRILE FUMARATE |
| Molecular Structure: | |
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| Formula: | C3H6N2•2 C4H4O4 |
| Molecular Weight: | 302.27 |
| Synonyms: | TIMTEC-BB SBB008547;3-AMINOPROPIONITRILE FUMARATE;3-AMINOPROPIONITRILE FUMARATE SALT;BIS-(3-AMINOPROPIONITRILE) FUMARATE;BETA-AMINOPROPIONITRILE MONOFUMARATE;BETA-AMINOPROPIONITRILE MONOFUMARATE SALT;3-amino-propanenitril(e)-2-butenedioate(2:1);3-amino-propionitrilfumarate(2:1) |
| Density: | g/cm3 |
| Melting Point: |
177 °C (dec.)(lit.) |
| Boiling Point: | 355.5°Cat760mmHg |
| Flash Point: | 183°C |
| Solubility: | almost transparency |
| Appearance: | WHITE CRYSTALLINE POWDER |
| Hazard Symbols: |
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| Risk Codes: | 61 |
| Safety: | Moderately toxic by ingestion and intraperitoneal routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx and CN−. See also NITRILES. |
| PSA: | 124.41000 |
| LogP: | 0.27088 |
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β-aminopropionitrile monofumarate salt
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3-<(tert-butoxycarbonyl)amino>propionitrile
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane for 12h; Heating; | 96% |
| With sodium hydroxide In diethyl ether; water for 12h; | 91% |
- 2079-89-2
β-aminopropionitrile monofumarate salt
- 501-53-1
benzyl chloroformate
- 18877-96-8
3-<<(benzyloxy)carbonyl>amino>propionitrile
| Conditions | Yield |
|---|---|
| With sodium hydroxide for 0.5h; Ambient temperature; | 82% |
| With sodium hydroxide In diethyl ether; water for 4h; | 35.0 g |
| With sodium hydroxide In diethyl ether; water for 2h; pH=10; |
- 2079-89-2
β-aminopropionitrile monofumarate salt
- 98-59-9
p-toluenesulfonyl chloride
- 2619-22-9
N-(β-cyanoethyl)-p-toluenesulfonamide
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; ethyl acetate pH=10; | 78% |
- 104568-68-5
1-(4-fluorophenyl)-5-methyl-1,4-hexanedione
- 2079-89-2
β-aminopropionitrile monofumarate salt
- 104568-69-6
2-<2-(4-fluorophenyl)-5-(1-methylethyl)-1H-pyrrol-1-yl>-1-cyanoethane
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In acetic acid for 8h; Heating; | 73% |
- 2108-54-5
1-(4-methoxyphenyl)pentane-1,4-dione
- 2079-89-2
β-aminopropionitrile monofumarate salt
- 123184-27-0
3-[2-(4-Methoxy-phenyl)-5-methyl-pyrrol-1-yl]-propionitrile
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In acetic acid for 8h; Heating; |
- 53842-12-9
1-(p-chlorophenyl)-1,4-pentanedione
- 2079-89-2
β-aminopropionitrile monofumarate salt
- 123184-28-1
3-[2-(4-Chloro-phenyl)-5-methyl-pyrrol-1-yl]-propionitrile
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In acetic acid for 8h; Heating; |
- 61771-79-7
1-cyclohexyl-1,4-pentanedione
- 2079-89-2
β-aminopropionitrile monofumarate salt
- 123184-34-9
3-(2-Cyclohexyl-5-methyl-pyrrol-1-yl)-propionitrile
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In acetic acid for 8h; Heating; |
- 70353-45-6
1-norborn-5-en-2-yl-pentane-1,4-dione
- 2079-89-2
β-aminopropionitrile monofumarate salt
- 123184-35-0
3-(2-Bicyclo[2.2.1]hept-5-en-2-yl-5-methyl-pyrrol-1-yl)-propionitrile
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In acetic acid for 8h; Heating; |
- 63472-37-7
1-([1,1'-biphenyl]-4-yl)pentane-1,4-dione
- 2079-89-2
β-aminopropionitrile monofumarate salt
- 123184-26-9
3-(2-Biphenyl-4-yl-5-methyl-pyrrol-1-yl)-propionitrile
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In acetic acid for 8h; Heating; |
- 123184-08-7
3,8-Diethyl-decane-4,7-dione
- 2079-89-2
β-aminopropionitrile monofumarate salt
- 123184-50-9
3-[2,5-Bis-(1-ethyl-propyl)-pyrrol-1-yl]-propionitrile
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In acetic acid for 8h; Heating; |
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Toxicity Data With Reference
| 1. | orl-rat LDLo:800 mg/kg | TJADAB Teratology, A Journal of Abnormal Development. 5 (1972),33. | ||
| 2. | ipr-mus LD50:5362 mg/kg | EMPSAL Experimental and Molecular Pathology, Supplement. 39 (1983),154. | ||
| 3. | orl-ham LD50:5000 mg/kg | TJADAB Teratology, A Journal of Abnormal Development. 14 (1976),43. |