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88017-12-3 | 2-Propanol, 1-amino-3-[4-(2-methoxyethoxy)phenoxy]-, hydrochloride
CAS No: 88017-12-3 Catalog No: AG004JSQ MDL No:
Product Description
Catalog Number:
AG004JSQ
Chemical Name:
2-Propanol, 1-amino-3-[4-(2-methoxyethoxy)phenoxy]-, hydrochloride
CAS Number:
88017-12-3
Molecular Formula:
C12H20ClNO4
Molecular Weight:
277.7445
IUPAC Name:
1-amino-3-[4-(2-methoxyethoxy)phenoxy]propan-2-ol;hydrochloride
InChI:
InChI=1S/C12H19NO4.ClH/c1-15-6-7-16-11-2-4-12(5-3-11)17-9-10(14)8-13;/h2-5,10,14H,6-9,13H2,1H3;1H
InChI Key:
VLFUYVWCSTWXFA-UHFFFAOYSA-N
SMILES:
COCCOc1ccc(cc1)OCC(CN)O.Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.108g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
277.745g/mol
Monoisotopic Mass:
277.108g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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