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138812-19-8 | 1,7-Octadiene-4,5-diamine, N4,N5-bis[(1S)-1-phenylethyl]-, (4R,5R)-
CAS No: 138812-19-8 Catalog No: AG0019MD MDL No:
Product Description
Catalog Number:
AG0019MD
Chemical Name:
1,7-Octadiene-4,5-diamine, N4,N5-bis[(1S)-1-phenylethyl]-, (4R,5R)-
CAS Number:
138812-19-8
Molecular Formula:
C24H32N2
Molecular Weight:
348.5243
IUPAC Name:
(4R,5R)-4-N,5-N-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine
InChI:
InChI=1S/C24H32N2/c1-5-13-23(25-19(3)21-15-9-7-10-16-21)24(14-6-2)26-20(4)22-17-11-8-12-18-22/h5-12,15-20,23-26H,1-2,13-14H2,3-4H3/t19-,20-,23+,24+/m0/s1
InChI Key:
ATZFBNIGZKFWRG-UWXQAFAOSA-N
SMILES:
C=CC[C@H]([C@H](N[C@H](c1ccccc1)C)CC=C)N[C@H](c1ccccc1)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
348.257g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.534g/mol
Monoisotopic Mass:
348.257g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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