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122875-03-0 | Benzenebutanamine, 3-methoxy-
CAS No: 122875-03-0 Catalog No: AG000JNY MDL No:
Product Description
Catalog Number:
AG000JNY
Chemical Name:
Benzenebutanamine, 3-methoxy-
CAS Number:
122875-03-0
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
IUPAC Name:
4-(3-methoxyphenyl)butan-1-amine
InChI:
InChI=1S/C11H17NO/c1-13-11-7-4-6-10(9-11)5-2-3-8-12/h4,6-7,9H,2-3,5,8,12H2,1H3
InChI Key:
NEHQMKGFIODIOM-UHFFFAOYSA-N
SMILES:
NCCCCc1cccc(c1)OC
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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