Home Nitriles Trans-4-(N-Boc-aminomethyl)cyclohexanecarbonitrile

Trans-4-(N-Boc-aminomethyl)cyclohexanecarbonitrile

CAS No.:
473923-79-4
Catalog Number:
AG00D948
Molecular Formula:
C13H22N2O2
Molecular Weight:
238.3260
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$119
- +
1g
97%
In Stock USA
United States
$300
- +
5g
97%
In Stock USA
United States
$925
- +
10g
97%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00D948
Chemical Name:
Trans-4-(N-Boc-aminomethyl)cyclohexanecarbonitrile
CAS Number:
473923-79-4
Molecular Formula:
C13H22N2O2
Molecular Weight:
238.3260
MDL Number:
MFCD09749844
IUPAC Name:
tert-butyl N-[(4-cyanocyclohexyl)methyl]carbamate
InChI:
InChI=1S/C13H22N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h10-11H,4-7,9H2,1-3H3,(H,15,16)
InChI Key:
KOFJDBKWKCOOLP-UHFFFAOYSA-N
SMILES:
N#C[C@@H]1CC[C@H](CC1)CNC(=O)OC(C)(C)C
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.168g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.331g/mol
Monoisotopic Mass:
238.168g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties