Name | 3-(Benzylamino)propionitrile |
Synonyms | AI3-20448 N-benzyl-2-cyanoethanaminium 3-(Benzylamino)propionitrile Β-(BENZYLAMINO)PROPIONITRILE β-(Benzylamino)propionitrile 3-(BENZYLAMINO)PROPIONITRILE 3-(benzylamino)propanenitrile N-(2-Cyanoethyl)benzenemethanamine 3-[(Phenylmethyl)amino]propanenitrile Propanenitrile, 3-((phenylmethyl)amino)- Propanenitrile, 3-[(phenylmethyl)amino]- |
CAS | 706-03-6 |
EINECS | 211-890-7 |
InChI | InChI=1/C10H12N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,8-9H2/p+1 |
Molecular Formula | C10H12N2 |
Molar Mass | 160.22 |
Density | 1.024 g/mL at 25 °C (lit.) |
Melting Point | 70 °C |
Boling Point | 276.13°C (rough estimate) |
Flash Point | >230°F |
Solubility | Soluble in DMSO. |
Vapor Presure | 0.00106mmHg at 25°C |
Appearance | Liquid |
Specific Gravity | 1.024 |
Color | Clear Colorless |
pKa | 7.29±0.19(Predicted) |
Storage Condition | Refrigerator |
Refractive Index | n20/D 1.5308(lit.) |
MDL | MFCD00001955 |
Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection |
UN IDs | UN3276 |
WGK Germany | 3 |
HS Code | 29269095 |
Hazard Class | 6.1 |
Packing Group | III |
Use | 3-(benzylamine) the Michael type aza reaction of propionitrile with 1-hydroxymethyl-5-methyl-1h-pyrazole-3-carboxylic acid ethyl ester occurs under mild conditions. |
reaction | with 3-(benzylamino) propionitrile as the starting reagent:(3R,4S)-1-benzyl -4-phenyl pyrrolidine-3-carboxylic acid is the key chiral building block 1-{[benzyl-(2-cyanoethyl))-Amino]-methyl}-5-methyl -1H-pyrazole-3-carboxylic acid ethyl ester (3-(benzyl)- 3 '-amino) propionitrile |