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115797-49-4 | 1,6-Hexane-1,1,6,6-d4-diamine (9CI)
CAS No: 115797-49-4 Catalog No: AG000GW9 MDL No:
Product Description
Catalog Number:
AG000GW9
Chemical Name:
1,6-Hexane-1,1,6,6-d4-diamine (9CI)
CAS Number:
115797-49-4
Molecular Formula:
C6H12D4N2
Molecular Weight:
120.2293
IUPAC Name:
1,1,6,6-tetradeuteriohexane-1,6-diamine
InChI:
InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2/i5D2,6D2
InChI Key:
NAQMVNRVTILPCV-NZLXMSDQSA-N
SMILES:
C([2H])(CCCCC(N)([2H])[2H])(N)[2H]
Properties
Complexity:
31.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.156g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
4
Molecular Weight:
120.232g/mol
Monoisotopic Mass:
120.156g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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