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DBCO-amine

CAS No.:
1255942-06-3
Catalog Number:
AG000NX0
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
96%
In Stock USA
United States
$332
- +
1g
95%
In Stock USA
United States
$3038
- +
Product Description
Catalog Number:
AG000NX0
Chemical Name:
DBCO-amine
CAS Number:
1255942-06-3
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
MDL Number:
MFCD22380759
IUPAC Name:
3-amino-1-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)propan-1-one
InChI:
InChI=1S/C18H16N2O/c19-12-11-18(21)20-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)20/h1-8H,11-13,19H2
InChI Key:
OCCYFTDHSHTFER-UHFFFAOYSA-N
SMILES:
NCCC(=O)N1Cc2ccccc2C#Cc2c1cccc2
Properties
Complexity:
447  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties