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141763-07-7

141763-07-7 | 4H-1,2,4-Triazol-4-amine, 3,5-bis(dimethoxymethyl)-

CAS No: 141763-07-7 Catalog No: AG001H0S MDL No:

Product Description

Catalog Number:
AG001H0S
Chemical Name:
4H-1,2,4-Triazol-4-amine, 3,5-bis(dimethoxymethyl)-
CAS Number:
141763-07-7
Molecular Formula:
C8H16N4O4
Molecular Weight:
232.2370
IUPAC Name:
3,5-bis(dimethoxymethyl)-1,2,4-triazol-4-amine
InChI:
InChI=1S/C8H16N4O4/c1-13-7(14-2)5-10-11-6(12(5)9)8(15-3)16-4/h7-8H,9H2,1-4H3
InChI Key:
JAAVNFBWEPBJFZ-UHFFFAOYSA-N
SMILES:
COC(c1nnc(n1N)C(OC)OC)OC

Properties

Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.117g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.24g/mol
Monoisotopic Mass:
232.117g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  

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