sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 3-Benzyl-3-aza-bicyclo[3.2.1]octane-8-carbonitrile

3-Benzyl-3-aza-bicyclo[3.2.1]octane-8-carbonitrile

CAS No.:
141380-31-6
Catalog Number:
AG00HVZV
Molecular Formula:
C15H18N2
Molecular Weight:
226.3168
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$231
- +
250mg
95%
In Stock USA
United States
$399
- +
1g
95%
In Stock USA
United States
$798
- +
5g
95%
In Stock USA
United States
$2394
- +
Product Description
Catalog Number:
AG00HVZV
Chemical Name:
3-Benzyl-3-aza-bicyclo[3.2.1]octane-8-carbonitrile
CAS Number:
141380-31-6
Molecular Formula:
C15H18N2
Molecular Weight:
226.3168
MDL Number:
MFCD28404913
IUPAC Name:
3-benzyl-3-azabicyclo[3.2.1]octane-8-carbonitrile
InChI:
InChI=1S/C15H18N2/c16-8-15-13-6-7-14(15)11-17(10-13)9-12-4-2-1-3-5-12/h1-5,13-15H,6-7,9-11H2
InChI Key:
GTIQIRBEEJPFTL-UHFFFAOYSA-N
SMILES:
N#CC1C2CCC1CN(C2)Cc1ccccc1
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.147g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.323g/mol
Monoisotopic Mass:
226.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties