200,000+ products from a single source!
sales@angenechem.com
138656-55-0 | Dodecanoic acid, compd. with 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-2-propanol (1:1)
CAS No: 138656-55-0 Catalog No: AG0018XZ MDL No:
Product Description
Catalog Number:
AG0018XZ
Chemical Name:
Dodecanoic acid, compd. with 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-2-propanol (1:1)
CAS Number:
138656-55-0
Molecular Formula:
C28H45NO4
Molecular Weight:
459.6612
IUPAC Name:
dodecanoic acid;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
InChI:
InChI=1S/C16H21NO2.C12H24O2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-9,12,14,17-18H,10-11H2,1-2H3;2-11H2,1H3,(H,13,14)
InChI Key:
CAWRJDLZCQEKMX-UHFFFAOYSA-N
SMILES:
OC(COc1cccc2c1cccc2)CNC(C)C.CCCCCCCCCCCC(=O)O
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.335g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
459.671g/mol
Monoisotopic Mass:
459.335g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.