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1339404-59-9 | 2-[Cyclopropyl-(4-methoxy-benzyl)-amino]-ethanol
CAS No: 1339404-59-9 Catalog No: AG01F9HW MDL No:
Product Description
Catalog Number:
AG01F9HW
Chemical Name:
2-[Cyclopropyl-(4-methoxy-benzyl)-amino]-ethanol
CAS Number:
1339404-59-9
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]ethanol
InChI:
InChI=1S/C13H19NO2/c1-16-13-6-2-11(3-7-13)10-14(8-9-15)12-4-5-12/h2-3,6-7,12,15H,4-5,8-10H2,1H3
InChI Key:
VJXFSNFJFJIFRG-UHFFFAOYSA-N
SMILES:
OCCN(C1CC1)Cc1ccc(cc1)OC
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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