Home Other Building Blocks tert-Butyl (1-((cyanomethyl)carbamoyl)cyclohexyl)carbamate

tert-Butyl (1-((cyanomethyl)carbamoyl)cyclohexyl)carbamate

CAS No.:
225122-33-8
Catalog Number:
AG019ENR
Molecular Formula:
C14H23N3O3
Molecular Weight:
281.3507
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$604
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Product Description
Catalog Number:
AG019ENR
Chemical Name:
tert-Butyl (1-((cyanomethyl)carbamoyl)cyclohexyl)carbamate
CAS Number:
225122-33-8
Molecular Formula:
C14H23N3O3
Molecular Weight:
281.3507
MDL Number:
MFCD24392169
IUPAC Name:
tert-butyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate
InChI:
InChI=1S/C14H23N3O3/c1-13(2,3)20-12(19)17-14(7-5-4-6-8-14)11(18)16-10-9-15/h4-8,10H2,1-3H3,(H,16,18)(H,17,19)
InChI Key:
PSVFZBCOZRVPDI-UHFFFAOYSA-N
SMILES:
N#CCNC(=O)C1(CCCCC1)NC(=O)OC(C)(C)C
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.174g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.356g/mol
Monoisotopic Mass:
281.174g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties