Home Other Building Blocks 3-{[(4-methylpentyl)oxy]methyl}aniline

3-{[(4-methylpentyl)oxy]methyl}aniline

CAS No.:
1039947-92-6
Catalog Number:
AG019XXB
Molecular Formula:
C13H21NO
Molecular Weight:
207.3119
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Product Description
Catalog Number:
AG019XXB
Chemical Name:
3-{[(4-methylpentyl)oxy]methyl}aniline
CAS Number:
1039947-92-6
Molecular Formula:
C13H21NO
Molecular Weight:
207.3119
MDL Number:
MFCD11196364
IUPAC Name:
3-(4-methylpentoxymethyl)aniline
InChI:
InChI=1S/C13H21NO/c1-11(2)5-4-8-15-10-12-6-3-7-13(14)9-12/h3,6-7,9,11H,4-5,8,10,14H2,1-2H3
InChI Key:
CXSWULYDUVAFST-UHFFFAOYSA-N
SMILES:
CC(CCCOCc1cccc(c1)N)C
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.162g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.317g/mol
Monoisotopic Mass:
207.162g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties