200,000+ products from a single source!
sales@angenechem.com
102417-13-0 | Carbamic acid, [3-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, butyl ester (9CI)
CAS No: 102417-13-0 Catalog No: AG0007EI MDL No:
Product Description
Catalog Number:
AG0007EI
Chemical Name:
Carbamic acid, [3-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, butyl ester (9CI)
CAS Number:
102417-13-0
Molecular Formula:
C17H28N2O4
Molecular Weight:
324.4152
IUPAC Name:
butyl N-[3-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]carbamate
InChI:
InChI=1S/C17H28N2O4/c1-4-5-9-22-17(21)19-14-7-6-8-16(10-14)23-12-15(20)11-18-13(2)3/h6-8,10,13,15,18,20H,4-5,9,11-12H2,1-3H3,(H,19,21)
InChI Key:
CWPHIFINLABJJM-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Nc1cccc(c1)OCC(CNC(C)C)O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.205g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
324.421g/mol
Monoisotopic Mass:
324.205g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.