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

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

CAS No.:
166438-80-8
Catalog Number:
AG001WQ5
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG001WQ5
Chemical Name:
4-(4-Methyl-1,4-diazepan-1-yl)benzonitrile
CAS Number:
166438-80-8
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD08690317
IUPAC Name:
4-(4-methyl-1,4-diazepan-1-yl)benzonitrile
InChI:
InChI=1S/C13H17N3/c1-15-7-2-8-16(10-9-15)13-5-3-12(11-14)4-6-13/h3-6H,2,7-10H2,1H3
InChI Key:
LWRMQRYMWJWCLS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N1CCCN(CC1)C
Properties
Complexity:
260  
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