Home Other Building Blocks 4-Cyanogramine

4-Cyanogramine

CAS No.:
105907-63-9
Catalog Number:
AG00HAQA
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$169
- +
5g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00HAQA
Chemical Name:
4-Cyanogramine
CAS Number:
105907-63-9
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD11112015
IUPAC Name:
3-[(dimethylamino)methyl]-1H-indole-4-carbonitrile
InChI:
InChI=1S/C12H13N3/c1-15(2)8-10-7-14-11-5-3-4-9(6-13)12(10)11/h3-5,7,14H,8H2,1-2H3
InChI Key:
JYFDGWJTTRDEMP-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1c(c[nH]2)CN(C)C
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties