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893577-83-8 | N-(4-METHOXYBENZYL)BUTAN-2-AMINE
CAS No: 893577-83-8 Catalog No: AG003XQY MDL No:MFCD07405986
Product Description
Catalog Number:
AG003XQY
Chemical Name:
N-(4-METHOXYBENZYL)BUTAN-2-AMINE
CAS Number:
893577-83-8
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
MDL Number:
MFCD07405986
IUPAC Name:
N-[(4-methoxyphenyl)methyl]butan-2-amine
InChI:
InChI=1S/C12H19NO/c1-4-10(2)13-9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3
InChI Key:
BFIFDYOBNXBOST-UHFFFAOYSA-N
SMILES:
CCC(NCc1ccc(cc1)OC)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.29g/mol
Monoisotopic Mass:
193.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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