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116472-03-8 | Benzenamine, N-(butoxymethyl)-
CAS No: 116472-03-8 Catalog No: AG000CKJ MDL No:
Product Description
Catalog Number:
AG000CKJ
Chemical Name:
Benzenamine, N-(butoxymethyl)-
CAS Number:
116472-03-8
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
IUPAC Name:
N-(butoxymethyl)aniline
InChI:
InChI=1S/C11H17NO/c1-2-3-9-13-10-12-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3
InChI Key:
CLUISJNSBXHWCV-UHFFFAOYSA-N
SMILES:
CCCCOCNc1ccccc1
Properties
Complexity:
111
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:
6
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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