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148369-91-9 | 1,2-Butanediamine, 1,1-bis(4-methoxyphenyl)-3-methyl-, (2S)-
CAS No: 148369-91-9 Catalog No: AG001KVQ MDL No:MFCD02684540
Product Description
Catalog Number:
AG001KVQ
Chemical Name:
1,2-Butanediamine, 1,1-bis(4-methoxyphenyl)-3-methyl-, (2S)-
CAS Number:
148369-91-9
Molecular Formula:
C19H26N2O2
Molecular Weight:
314.4219
MDL Number:
MFCD02684540
IUPAC Name:
(2S)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
InChI:
InChI=1S/C19H26N2O2/c1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15/h5-13,18H,20-21H2,1-4H3/t18-/m0/s1
InChI Key:
WDYGPMAMBXJESZ-SFHVURJKSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)([C@H](C(C)C)N)N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
314.199g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.429g/mol
Monoisotopic Mass:
314.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Solution structures and behavior of trans-RuH(eta(1)-BH(4)) (binap)(1,2-diamine) complexes. | Magnetic resonance in chemistry : MRC 20060101 |
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