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20014-08-8 | 2-Propanol, 1-[(4-ethoxyphenyl)amino]-3-[(1-methylethyl)amino]-, hydrochloride (1:2)
CAS No: 20014-08-8 Catalog No: AG002CKL MDL No:
Product Description
Catalog Number:
AG002CKL
Chemical Name:
2-Propanol, 1-[(4-ethoxyphenyl)amino]-3-[(1-methylethyl)amino]-, hydrochloride (1:2)
CAS Number:
20014-08-8
Molecular Formula:
C14H26Cl2N2O2
Molecular Weight:
325.2744
IUPAC Name:
1-(4-ethoxyanilino)-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
InChI:
InChI=1S/C14H24N2O2.2ClH/c1-4-18-14-7-5-12(6-8-14)16-10-13(17)9-15-11(2)3;;/h5-8,11,13,15-17H,4,9-10H2,1-3H3;2*1H
InChI Key:
SZTNHUOSIRKRLW-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NCC(CNC(C)C)O.Cl.Cl
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
325.274g/mol
Monoisotopic Mass:
324.137g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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