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69355-11-9 | 5-Hexyne-1,4-diamine
CAS No: 69355-11-9 Catalog No: AG005NCG MDL No:
Product Description
Catalog Number:
AG005NCG
Chemical Name:
5-Hexyne-1,4-diamine
CAS Number:
69355-11-9
Molecular Formula:
C6H12N2
Molecular Weight:
112.1729
IUPAC Name:
hex-5-yne-1,4-diamine
InChI:
InChI=1S/C6H12N2/c1-2-6(8)4-3-5-7/h1,6H,3-5,7-8H2
InChI Key:
UCVFVKMHFQZVNZ-UHFFFAOYSA-N
SMILES:
NC(C#C)CCCN
Properties
Complexity:
89.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.1g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.176g/mol
Monoisotopic Mass:
112.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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