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125655-07-4 | Pentanal, 2-[bis(phenylmethyl)amino]-3-methyl-, (2S,3S)-
CAS No: 125655-07-4 Catalog No: AG000O9V MDL No:
Product Description
Catalog Number:
AG000O9V
Chemical Name:
Pentanal, 2-[bis(phenylmethyl)amino]-3-methyl-, (2S,3S)-
CAS Number:
125655-07-4
Molecular Formula:
C20H25NO
Molecular Weight:
295.4186
IUPAC Name:
(2S,3S)-2-(dibenzylamino)-3-methylpentanal
InChI:
InChI=1S/C20H25NO/c1-3-17(2)20(16-22)21(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13,16-17,20H,3,14-15H2,1-2H3/t17-,20+/m0/s1
InChI Key:
CVEDEXBVZHXRAU-FXAWDEMLSA-N
SMILES:
CC[C@@H]([C@H](N(Cc1ccccc1)Cc1ccccc1)C=O)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
295.194g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.426g/mol
Monoisotopic Mass:
295.194g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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