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137724-58-4

137724-58-4 | 2-Octanol, 1-[(phenylmethyl)amino]-

CAS No: 137724-58-4 Catalog No: AG0013S9 MDL No:

Product Description

Catalog Number:
AG0013S9
Chemical Name:
2-Octanol, 1-[(phenylmethyl)amino]-
CAS Number:
137724-58-4
Molecular Formula:
C15H25NO
Molecular Weight:
235.3651
IUPAC Name:
1-(benzylamino)octan-2-ol
InChI:
InChI=1S/C15H25NO/c1-2-3-4-8-11-15(17)13-16-12-14-9-6-5-7-10-14/h5-7,9-10,15-17H,2-4,8,11-13H2,1H3
InChI Key:
NTSCQTJMIXDYJO-UHFFFAOYSA-N
SMILES:
CCCCCCC(CNCc1ccccc1)O

Properties

Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.194g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.371g/mol
Monoisotopic Mass:
235.194g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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