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144163-44-0 | Benzenebutanol, γ-amino-α-[(1S)-1-amino-2-phenylethyl]-, (αS,γS)-
CAS No: 144163-44-0 Catalog No: AG001J1I MDL No:
Product Description
Catalog Number:
AG001J1I
Chemical Name:
Benzenebutanol, γ-amino-α-[(1S)-1-amino-2-phenylethyl]-, (αS,γS)-
CAS Number:
144163-44-0
Molecular Formula:
C18H24N2O
Molecular Weight:
284.3960
IUPAC Name:
(2S,3S,5S)-2,5-diamino-1,6-diphenylhexan-3-ol
InChI:
InChI=1S/C18H24N2O/c19-16(11-14-7-3-1-4-8-14)13-18(21)17(20)12-15-9-5-2-6-10-15/h1-10,16-18,21H,11-13,19-20H2/t16-,17-,18-/m0/s1
InChI Key:
BIZHLXOOWGXFLC-BZSNNMDCSA-N
SMILES:
N[C@H](C[C@@H]([C@H](Cc1ccccc1)N)O)Cc1ccccc1
EC Number:
604-397-7
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
284.189g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
284.403g/mol
Monoisotopic Mass:
284.189g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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