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125078-78-6 | Hexitol, 1,6-diamino-1,2,5,6-tetradeoxy- (9CI)
CAS No: 125078-78-6 Catalog No: AG000N3W MDL No:
Product Description
Catalog Number:
AG000N3W
Chemical Name:
Hexitol, 1,6-diamino-1,2,5,6-tetradeoxy- (9CI)
CAS Number:
125078-78-6
Molecular Formula:
C6H16N2O2
Molecular Weight:
148.2034
IUPAC Name:
1,6-diaminohexane-3,4-diol
InChI:
InChI=1S/C6H16N2O2/c7-3-1-5(9)6(10)2-4-8/h5-6,9-10H,1-4,7-8H2
InChI Key:
XJAYIRLVNXHVIB-UHFFFAOYSA-N
SMILES:
NCCC(C(CCN)O)O
Properties
Complexity:
70.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.121g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
148.206g/mol
Monoisotopic Mass:
148.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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