N-Benzyl-2-cyanoacetamide - CAS 10412-93-8

Catalog:	BB001336
Product Name:	N-Benzyl-2-cyanoacetamide
CAS:	10412-93-8
Synonyms:	2-cyano-N-(phenylmethyl)acetamide; N-benzyl-2-cyanoacetamide

Technical Data

Patents

Computed Properties

IUPAC Name:	N-benzyl-2-cyanoacetamide
Description:	N-Benzyl-2-cyanoacetamide (CAS# 10412-93-8) is a useful research chemical.
Molecular Weight:	174.20
Molecular Formula:	C10H10N2O
Canonical SMILES:	C1=CC=C(C=C1)CNC(=O)CC#N
InChI:	InChI=1S/C10H10N2O/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6,8H2,(H,12,13)
InChI Key:	JQVMRGYDSQFFJC-UHFFFAOYSA-N
Boiling Point:	425.2 °C at 760 mmHg
Density:	1.126 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD00461336
LogP:	1.60738

Publication Number	Title	Priority Date
WO-2020249821-A1	Novel arginase inhibitors	20190614
WO-2020212583-A1	Process for preparing cyanoacetates	20190418
WO-2019096677-A1	Microbiological process for the preparation of amides	20171114
CN-111757940-A	Microbiological method for producing amides	20171114
EP-3710592-A1	Microbiological process for the preparation of amides	20171114

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Nitrogen Compounds

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Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.079312947
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.079312947
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1