200,000+ products from a single source!
sales@angenechem.com
126318-00-1 | 2H-Pyran-4-ethanamine, tetrahydro-2,2-dimethyl-4-(phenylmethyl)-
CAS No: 126318-00-1 Catalog No: AG000SJN MDL No:MFCD01550304
Product Description
Catalog Number:
AG000SJN
Chemical Name:
2H-Pyran-4-ethanamine, tetrahydro-2,2-dimethyl-4-(phenylmethyl)-
CAS Number:
126318-00-1
Molecular Formula:
C16H25NO
Molecular Weight:
247.3758
MDL Number:
MFCD01550304
IUPAC Name:
2-(4-benzyl-2,2-dimethyloxan-4-yl)ethanamine
InChI:
InChI=1S/C16H25NO/c1-15(2)13-16(8-10-17,9-11-18-15)12-14-6-4-3-5-7-14/h3-7H,8-13,17H2,1-2H3
InChI Key:
PIEDATHHFQLXTM-UHFFFAOYSA-N
SMILES:
NCCC1(CCOC(C1)(C)C)Cc1ccccc1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.382g/mol
Monoisotopic Mass:
247.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.