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Home Nitriles 2-(4-Methyl-1,4-diazepan-1-yl)benzonitrile

2-(4-Methyl-1,4-diazepan-1-yl)benzonitrile

CAS No.:
204078-93-3
Catalog Number:
AG007QFB
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$250
- +
5g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG007QFB
Chemical Name:
2-(4-Methyl-1,4-diazepan-1-yl)benzonitrile
CAS Number:
204078-93-3
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD09065002
IUPAC Name:
2-(4-methyl-1,4-diazepan-1-yl)benzonitrile
InChI:
InChI=1S/C13H17N3/c1-15-7-4-8-16(10-9-15)13-6-3-2-5-12(13)11-14/h2-3,5-6H,4,7-10H2,1H3
InChI Key:
WKJLOVRBRYDGGK-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1N1CCCN(CC1)C
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.3g/mol
Monoisotopic Mass:
215.142g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties