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136597-79-0 | 2,3-Butanediamine, 1,4-bis(phenylmethoxy)-, (2R,3R)-
CAS No: 136597-79-0 Catalog No: AG00124G MDL No:
Product Description
Catalog Number:
AG00124G
Chemical Name:
2,3-Butanediamine, 1,4-bis(phenylmethoxy)-, (2R,3R)-
CAS Number:
136597-79-0
Molecular Formula:
C18H24N2O2
Molecular Weight:
300.3954
IUPAC Name:
(2R,3R)-2,3-bis(butylamino)butane-1,4-diol
InChI:
InChI=1S/C12H28N2O2/c1-3-5-7-13-11(9-15)12(10-16)14-8-6-4-2/h11-16H,3-10H2,1-2H3/t11-,12-/m0/s1
InChI Key:
VCXTXOIEDXHNOP-RYUDHWBXSA-N
SMILES:
N[C@H]([C@H](COCc1ccccc1)N)COCc1ccccc1
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
232.215g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
232.368g/mol
Monoisotopic Mass:
232.215g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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