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116322-59-9 | 2,4-Hexadiyne-1,6-diamine, sulfate (1:1)
CAS No: 116322-59-9 Catalog No: AG000C7M MDL No:
Product Description
Catalog Number:
AG000C7M
Chemical Name:
2,4-Hexadiyne-1,6-diamine, sulfate (1:1)
CAS Number:
116322-59-9
Molecular Formula:
C6H10N2O4S
Molecular Weight:
206.2196
IUPAC Name:
hexa-2,4-diyne-1,6-diamine;sulfuric acid
InChI:
InChI=1S/C6H8N2.H2O4S/c7-5-3-1-2-4-6-8;1-5(2,3)4/h5-8H2;(H2,1,2,3,4)
InChI Key:
QHVKEPDJVFTZBB-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.NCC#CC#CCN
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
206.216g/mol
Monoisotopic Mass:
206.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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