Home Other Building Blocks [2-(4-methylphenyl)oxan-3-yl]methanamine, Mixture of diastereomers

[2-(4-methylphenyl)oxan-3-yl]methanamine, Mixture of diastereomers

CAS No.:
1343690-33-4
Catalog Number:
AG019SYJ
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
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Product Description
Catalog Number:
AG019SYJ
Chemical Name:
[2-(4-methylphenyl)oxan-3-yl]methanamine, Mixture of diastereomers
CAS Number:
1343690-33-4
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
MDL Number:
MFCD20306648
IUPAC Name:
[2-(4-methylphenyl)oxan-3-yl]methanamine
InChI:
InChI=1S/C13H19NO/c1-10-4-6-11(7-5-10)13-12(9-14)3-2-8-15-13/h4-7,12-13H,2-3,8-9,14H2,1H3
InChI Key:
GIHZZIZFMMONAF-UHFFFAOYSA-N
SMILES:
NCC1CCCOC1c1ccc(cc1)C
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties