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1342096-78-9 | 2-[Isopropyl-(4-methoxy-benzyl)-amino]-ethanol
CAS No: 1342096-78-9 Catalog No: AG01FA1Q MDL No:
Product Description
Catalog Number:
AG01FA1Q
Chemical Name:
2-[Isopropyl-(4-methoxy-benzyl)-amino]-ethanol
CAS Number:
1342096-78-9
Molecular Formula:
C13H21NO2
Molecular Weight:
223.3113
IUPAC Name:
2-[(4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
InChI:
InChI=1S/C13H21NO2/c1-11(2)14(8-9-15)10-12-4-6-13(16-3)7-5-12/h4-7,11,15H,8-10H2,1-3H3
InChI Key:
AWJNPQQTTQDRIS-UHFFFAOYSA-N
SMILES:
OCCN(C(C)C)Cc1ccc(cc1)OC
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.316g/mol
Monoisotopic Mass:
223.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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