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136598-06-6 | 1,4-Butanediol, 2,3-diamino-, (2R,3R)-
CAS No: 136598-06-6 Catalog No: AG00124D MDL No:
Product Description
Catalog Number:
AG00124D
Chemical Name:
1,4-Butanediol, 2,3-diamino-, (2R,3R)-
CAS Number:
136598-06-6
Molecular Formula:
C4H12N2O2
Molecular Weight:
120.1503
IUPAC Name:
(2R,3R)-2,3-diaminobutane-1,4-diol
InChI:
InChI=1S/C4H12N2O2/c5-3(1-7)4(6)2-8/h3-4,7-8H,1-2,5-6H2/t3-,4-/m0/s1
InChI Key:
JOINEDRPUPHALH-IMJSIDKUSA-N
SMILES:
OC[C@@H]([C@H](CO)N)N
Properties
Complexity:
52
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
120.09g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
120.152g/mol
Monoisotopic Mass:
120.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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