Home Other Building Blocks 3-[(oxolan-2-ylmethoxy)methyl]aniline

3-[(oxolan-2-ylmethoxy)methyl]aniline

CAS No.:
927803-13-2
Catalog Number:
AG01A7K5
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
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Product Description
Catalog Number:
AG01A7K5
Chemical Name:
3-[(oxolan-2-ylmethoxy)methyl]aniline
CAS Number:
927803-13-2
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD09054843
IUPAC Name:
3-(oxolan-2-ylmethoxymethyl)aniline
InChI:
InChI=1S/C12H17NO2/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1,3-4,7,12H,2,5-6,8-9,13H2
InChI Key:
POJRATSCRJVQEK-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)COCC1CCCO1
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties