Home Amines 727719-96-2
727719-96-2,MFCD10016306
Catalog No.:AA019TA1
727719-96-2 | 1-[4-(aminomethyl)piperidin-1-yl]-2-phenylethan-1-one
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100mg
95.0%
3 weeks  
$486.00
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Technical Information
Catalog Number:
AA019TA1
Chemical Name:
1-[4-(aminomethyl)piperidin-1-yl]-2-phenylethan-1-one
CAS Number:
727719-96-2
Molecular Formula:
C14H20N2O
Molecular Weight:
232.3214
MDL Number:
MFCD10016306
IUPAC Name:
1-[4-(aminomethyl)piperidin-1-yl]-2-phenylethanone
InChI:
InChI=1S/C14H20N2O/c15-11-13-6-8-16(9-7-13)14(17)10-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2
InChI Key:
ZOIMHMPVUNOXNM-UHFFFAOYSA-N
SMILES:
NCC1CCN(CC1)C(=O)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.158g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.327g/mol
Monoisotopic Mass:
232.158g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
1-[4-(aminomethyl)piperidin-1-yl]-2-phenylethan-1-one 
727719-96-2 
ZINC20182523 
AKOS011058714 
NE60650 
Literature
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