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1235758-90-3 | BenzenaMine, 4-[[(3R,5S)-3,5-diMethyl-4-Morpholinyl]Methyl]-, rel-
CAS No: 1235758-90-3 Catalog No: AG000KT7 MDL No:
Product Description
Catalog Number:
AG000KT7
Chemical Name:
BenzenaMine, 4-[[(3R,5S)-3,5-diMethyl-4-Morpholinyl]Methyl]-, rel-
CAS Number:
1235758-90-3
Molecular Formula:
C13H20N2O
Molecular Weight:
220.3107
IUPAC Name:
4-[[(3S,5R)-3,5-dimethylmorpholin-4-yl]methyl]aniline
InChI:
InChI=1S/C13H20N2O/c1-10-8-16-9-11(2)15(10)7-12-3-5-13(14)6-4-12/h3-6,10-11H,7-9,14H2,1-2H3/t10-,11+
InChI Key:
HENXFLISWTXENK-PHIMTYICSA-N
SMILES:
C[C@@H]1COC[C@@H](N1Cc1ccc(cc1)N)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
220.158g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.316g/mol
Monoisotopic Mass:
220.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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