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13659-02-4

13659-02-4 | 1-Pentanol, 5-(phenylamino)-, 1-acetate

CAS No: 13659-02-4 Catalog No: AG00124T MDL No:

Product Description

Catalog Number:
AG00124T
Chemical Name:
1-Pentanol, 5-(phenylamino)-, 1-acetate
CAS Number:
13659-02-4
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
5-anilinopentyl acetate
InChI:
InChI=1S/C13H19NO2/c1-12(15)16-11-7-3-6-10-14-13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3
InChI Key:
ZOLBHIGRRJZIDM-UHFFFAOYSA-N
SMILES:
CC(=O)OCCCCCNc1ccccc1
NSC Number:
76342

Properties

Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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