3-(Benzylamino)propionitrile, 97+%

Description

CAS: 706-03-6 | C10H13N2 | 161.23 g/mol

3-(Benzyl amino)propionitrile was used as starting reagent in the synthesis of (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, 3-[benzyl-(3,5-dimethyl-pyrazol-1-ylmethyl)-amino]-propionitrile. It undergoes aza-type Michael reaction with 1-hydroxymethyl-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester under mild conditions

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Specifications

Chemical Identifiers

• CAS: 706-03-6
• Molecular Formula: C10H13N2
• Molecular Weight (g/mol): 161.23
• MDL Number: MFCD00001955
• InChI Key: MWTGBAURSCEGSL-UHFFFAOYSA-O
• Synonym: 3-benzylamino propanenitrile, 3-benzylamino propionitrile, n-benzyl-2-cyanoethylamine, propanenitrile, 3-phenylmethyl amino, a-cyanoethyl benzylamine, beta-cyanoethylbenzylamine, acmc-1bk6i, 3-benzylamino-propionitrile
• PubChem CID: 69719
• IUPAC Name: 3-(benzylamino)propanenitrile
• SMILES: N#CCC[NH2+]CC1=CC=CC=C1

• Density: 1.024 g/mL
• Flash Point: >110°C (230°F)
• Refractive Index: 1.5308
• Quantity: 100 g
• UN Number: UN3276
• Solubility Information: Soluble in DMSO.
• Formula Weight: 160.22
• Percent Purity: ≥97%
• Physical Form: Liquid
• Chemical Name or Material: 3-(Benzylamino)propionitrile

Safety and Handling

Hazard Category	H302+H312+H332
Hazard Statement	GHS H Statement H331-H302-H312 Toxic if inhaled. Harmful if swallowed. Harmful in contact with skin.
Precautionary Statement	P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P312-P330-P363-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: NITRILES, LIQUID, TOXIC, N.O.S.
EINECSNumber	211-890-7
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only