200,000+ products from a single source!
sales@angenechem.com
80178-56-9 | N,N-Dimethyl-2-(((1S,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-yl)oxy)ethanamine
CAS No: 80178-56-9 Catalog No: AG0054DX MDL No:
Product Description
Catalog Number:
AG0054DX
Chemical Name:
N,N-Dimethyl-2-(((1S,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-yl)oxy)ethanamine
CAS Number:
80178-56-9
Molecular Formula:
C20H31NO
Molecular Weight:
301.4662
IUPAC Name:
N,N-dimethyl-2-[[(1S,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
InChI:
InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19+,20+/m1/s1
InChI Key:
QOBGWWQAMAPULA-HOJAQTOUSA-N
SMILES:
CN(CCO[C@@]1(C[C@@H]2C([C@]1(C)CC2)(C)C)c1ccccc1)C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
301.241g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.474g/mol
Monoisotopic Mass:
301.241g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
© 2019 Angene International Limited. All rights Reserved.