Home Halogens 1,3,5-Triazine-2,4-diamine, 6-chloro-N-(ethyl-d5)-N'-(1-methylethyl)- (9CI)

1,3,5-Triazine-2,4-diamine, 6-chloro-N-(ethyl-d5)-N'-(1-methylethyl)- (9CI)

CAS No.:
163165-75-1
Catalog Number:
AG001TU8
Molecular Formula:
C8H9ClD5N5
Molecular Weight:
220.7141
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Product Description
Catalog Number:
AG001TU8
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-chloro-N-(ethyl-d5)-N'-(1-methylethyl)- (9CI)
CAS Number:
163165-75-1
Molecular Formula:
C8H9ClD5N5
Molecular Weight:
220.7141
MDL Number:
MFCD00143637
IUPAC Name:
6-chloro-4-N-(1,1,2,2,2-pentadeuterioethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)/i1D3,4D2
InChI Key:
MXWJVTOOROXGIU-SGEUAGPISA-N
SMILES:
CC(Nc1nc(Cl)nc(n1)NC(C([2H])([2H])[2H])([2H])[2H])C
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.125g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
5  
Molecular Weight:
220.716g/mol
Monoisotopic Mass:
220.125g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties