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100033-28-1

100033-28-1 | Cyanamide, [4,6-bis(methylamino)-1,3,5-triazin-2-yl]- (9CI)

CAS No: 100033-28-1 Catalog No: AG0000CU MDL No:

Product Description

Catalog Number:
AG0000CU
Chemical Name:
Cyanamide, [4,6-bis(methylamino)-1,3,5-triazin-2-yl]- (9CI)
CAS Number:
100033-28-1
Molecular Formula:
C6H9N7
Molecular Weight:
179.1826
IUPAC Name:
[4,6-bis(methylamino)-1,3,5-triazin-2-yl]cyanamide
InChI:
InChI=1S/C6H9N7/c1-8-4-11-5(9-2)13-6(12-4)10-3-7/h1-2H3,(H3,8,9,10,11,12,13)
InChI Key:
VOKPSESZPMWCEQ-UHFFFAOYSA-N
SMILES:
CNc1nc(NC#N)nc(n1)NC

Properties

Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.092g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
179.187g/mol
Monoisotopic Mass:
179.092g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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