Home Amines 1019578-68-7
1019578-68-7,MFCD11139645
Catalog No.:AA000605
1019578-68-7 | N-Isobutyl 3-fluorobenzylamine
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$86.00   $60.00
- +
5g
98%
in stock  
$258.00   $180.00
- +
10g
98%
in stock  
$445.00   $312.00
- +
25g
98%
in stock  
$762.00   $534.00
  • Technical Information
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Technical Information
Catalog Number:
AA000605
Chemical Name:
N-Isobutyl 3-fluorobenzylamine
CAS Number:
1019578-68-7
Molecular Formula:
C11H16FN
Molecular Weight:
181.2498
MDL Number:
MFCD11139645
IUPAC Name:
N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
InChI:
InChI=1S/C11H16FN/c1-9(2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8H2,1-2H3
InChI Key:
HCNBCVDBTLLOSB-UHFFFAOYSA-N
SMILES:
CC(CNCc1cccc(c1)F)C
Properties
Computed Properties
 
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.127g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.254g/mol
Monoisotopic Mass:
181.127g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
N-Isobutyl 3-fluorobenzylamine 
1019578-68-7 
MFCD11139645 
ZINC19882929 
3-Fluoro-N-isobutylbenzylamine, 97% 
AKOS000226927 
BBV-29344043 
TC-103302 
Z6430 
EN300-32543 
[(3-fluorophenyl)methyl](2-methylpropyl)amine 
B-8856 
ACMC-2097xr 
Benzenemethanamine, 3-fluoro-N-(2-methylpropyl)- 
N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine 
3-Fluoro-N-isobutylbenzylamine 
C11H16FN 
N-(3-Fluorobenzyl)isobutylamine 
CTK8A9016 
KS-00001LSH 
DTXSID70651442 
ANW-14557 
Literature
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