Name: Name:3-(AZEPAN-1-YL)-3-OXOPROPANENITRILE
Brand: Angene
SKU: AG01FLH6
Rating: 90 (10 reviews)

3-(AZEPAN-1-YL)-3-OXOPROPANENITRILE

CAS No.:

15029-31-9

Catalog Number:

AG01FLH6

Molecular Formula:

Molecular Weight:

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Product Description

Catalog Number:

AG01FLH6

Chemical Name:

3-(AZEPAN-1-YL)-3-OXOPROPANENITRILE

CAS Number:

15029-31-9

MDL Number:

MFCD00228093

IUPAC Name:

3-(azepan-1-yl)-3-oxopropanenitrile

InChI:

InChI=1S/C9H14N2O/c10-6-5-9(12)11-7-3-1-2-4-8-11/h1-5,7-8H2

InChI Key:

RQFYTYZQYOWZRM-UHFFFAOYSA-N

Properties

Complexity:

196

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.111g/mol

Formal Charge:

Heavy Atom Count:

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Isotope Atom Count:

Molecular Weight:

166.224g/mol

Monoisotopic Mass:

166.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501