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807343-01-7 | (2-METHOXYBENZYL)PROPYLAMINE
CAS No: 807343-01-7 Catalog No: AG0058D8 MDL No:MFCD04503211
Product Description
Catalog Number:
AG0058D8
Chemical Name:
(2-METHOXYBENZYL)PROPYLAMINE
CAS Number:
807343-01-7
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD04503211
IUPAC Name:
N-[(2-methoxyphenyl)methyl]propan-1-amine
InChI:
InChI=1S/C11H17NO/c1-3-8-12-9-10-6-4-5-7-11(10)13-2/h4-7,12H,3,8-9H2,1-2H3
InChI Key:
JDUNMOVTNMQDIG-UHFFFAOYSA-N
SMILES:
NCCCCc1ccccc1OC
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:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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