Skip to Content
MilliporeSigma
All Photos(2)

Key Documents

View All Documentation

185167

Sigma-Aldrich

3-(Benzylamino)propionitrile

97%

Sign Into View Organizational & Contract Pricing
All Photos(2)

About This Item

Linear Formula:
C6H5CH2NHCH2CH2CN
CAS Number:
706-03-6
Molecular Weight:
160.22
EC Number:
211-890-7
MDL number:
MFCD00001955
UNSPSC Code:
12352100
PubChem Substance ID:
24850672

assay

97%

refractive index

n20/D 1.5308 (lit.)

density

1.024 g/mL at 25 °C (lit.)

functional group

amine
nitrile
phenyl

SMILES string

N#CCCNCc1ccccc1

InChI

1S/C10H12N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,8-9H2

InChI key

MWTGBAURSCEGSL-UHFFFAOYSA-N

General description

3-(Benzylamino)propionitrile undergoes aza-type Michael reaction with 1-hydroxymethyl-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester under mild conditions[1].

Application

3-(Benzylamino)propionitrile was used as starting reagent in the synthesis of:
  • (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, key chiral building block for synthesis of biologically active compounds[2]
  • 1-{[benzyl-(2-cyano-ethyl)-amino]-methyl}-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester[1]
  • 3-[benzyl-(3,5-dimethyl-pyrazol-1-ylmethyl)-amino]-propionitrile[3]

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
12817AJ
07009DH
06909DH
04409JZ
05728LF

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

3-[Benzyl-(1, 5-dimethyl-1H-pyrazol-3-ylmethyl)-amino]-propionitrile.
Herrag L, et al.
Molbank, 2006(5), M496-M496 (2006)
A Practical and Efficient Synthesis of (3 R, 4 S)-1-Benzyl-4-phenylpyrrolidine-3-carboxylic acid via an Aziridinium Ion Intermediate.
Ohigashi A, et al.
Organic Process Research & Development, 14(1), 127-132 (2009)
1-{[Benzyl-(2-cyano-ethyl)-amino]-methyl}-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester.
Herrag L, et al.
Molbank, 1006(5), M494-M494 (2006)

Questions

Reviews

No rating value

Active Filters

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service