Home Amines 102638-45-9
102638-45-9,MFCD08275208
Catalog No.:AA0007WZ
102638-45-9 | tert-Butyl 3-(aminomethyl)benzoate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95+%
2 weeks  
$97.00   $68.00
- +
250mg
95%
2 weeks  
$124.00   $87.00
- +
1g
95+%
2 weeks  
$236.00   $165.00
- +
5g
95+%
2 weeks  
$768.00   $538.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0007WZ
Chemical Name:
tert-Butyl 3-(aminomethyl)benzoate
CAS Number:
102638-45-9
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD08275208
IUPAC Name:
tert-butyl 3-(aminomethyl)benzoate
InChI:
InChI=1S/C12H17NO2/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h4-7H,8,13H2,1-3H3
InChI Key:
HALKLPHYNWBHPB-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
tert-butyl 3-(aminomethyl)benzoate 
102638-45-9 
MFCD08275208 
SBB093905 
ZINC37729953 
AKOS010134685 
AS-5103 
OR346066 
AB0001489 
DB-015024 
TC-064389 
3-(Aminomethyl)benzoic acid tert-butyl ester 
tert-Butyl 3-aminomethylbenzoate 
FT-0682374 
X6530 
EN300-120029 
I01-9619 
C12H17NO2 
CB11110 
1,1-Dimethylethyl-3-(aminomethyl)benzoate 
A1813 
tert-butyl3-(aminomethyl)benzoate 
Benzoic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester 
ACMC-20c3m5 
SCHEMBL4928282 
CTK0D8958 
KS-00003GUR 
DTXSID10600616 
Literature
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