Home Nitriles 2-(1-Boc-3-Piperidinylidene)acetonitrile

2-(1-Boc-3-Piperidinylidene)acetonitrile

CAS No.:
1159982-27-0
Catalog Number:
AG000HFB
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$250
- +
5g
96%
In Stock USA
United States
$950
- +
Product Description
Catalog Number:
AG000HFB
Chemical Name:
2-(1-Boc-3-Piperidinylidene)acetonitrile
CAS Number:
1159982-27-0
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
MDL Number:
MFCD09953299
IUPAC Name:
tert-butyl 3-(cyanomethylidene)piperidine-1-carboxylate
InChI:
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-4-5-10(9-14)6-7-13/h6H,4-5,8-9H2,1-3H3
InChI Key:
SNIXSVYUUCIRRS-UHFFFAOYSA-N
SMILES:
N#CC=C1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.1  
Properties