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D-Arabinitol,1-amino-1-deoxy-, hydrobromide (9CI) 55399-80-9 98%
【Name】
D-Arabinitol,1-amino-1-deoxy-, hydrobromide (9CI)
【CAS Registry number】
55399-80-9
【Synonyms】
Arabinitol,1-amino-1-deoxy-, hydrobromide, D- (6CI)
NSC 21557
【Molecular Formula】
C5H13 N O4 . Br H (Products with the same molecular formula)
【Molecular Weight】
151.161
【Inchi】
InChI=1/C5H13NO4/c6-1-3(8)5(10)4(9)2-7/h3-5,7-10H,1-2,6H2
【Canonical SMILES】
C(C(C(C(CO)O)O)O)N.[Br-]
【Isomers smiles】
C(C(C(C(CO)O)O)O)N.[Br-]
Chemical and Physical Properties
【Density】
1.427g/cm3
【Boiling Point】
460.5°Cat760mmHg
【Refractive Index】
1.57
【Flash Point】
232.3°C
【Computed Properties】
Molecular Weight:231.06502 [g/mol]
Molecular Formula:C5H13BrNO4-
H-Bond Donor:5
H-Bond Acceptor:6
Rotatable Bond Count:4
Exact Mass:230.002796
MonoIsotopic Mass:230.002796
Topological Polar Surface Area:107
Heavy Atom Count:11
Formal Charge:-1
Complexity:89.7
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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