Home Amines 1138324-46-5
1138324-46-5,MFCD23106393
Catalog No.:AA0009R8
1138324-46-5 | tert-Butyl (2s,4r)-2-(aminomethyl)-4-fluoro-1-pyrrolidinecarboxylate
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500mg
97%
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$497.00   $348.00
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1g
97%
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$747.00   $523.00
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5g
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$2,240.00   $1,568.00
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Technical Information
Catalog Number:
AA0009R8
Chemical Name:
tert-Butyl (2s,4r)-2-(aminomethyl)-4-fluoro-1-pyrrolidinecarboxylate
CAS Number:
1138324-46-5
Molecular Formula:
C10H19FN2O2
Molecular Weight:
218.2685
MDL Number:
MFCD23106393
IUPAC Name:
tert-butyl (2S,4R)-2-(aminomethyl)-4-fluoropyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-6-7(11)4-8(13)5-12/h7-8H,4-6,12H2,1-3H3/t7-,8+/m1/s1
InChI Key:
DADYKTRZKFJROI-SFYZADRCSA-N
SMILES:
NC[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)F
Properties
Computed Properties
 
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
218.143g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.272g/mol
Monoisotopic Mass:
218.143g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
1138324-46-5 
(2S,4R)-tert-butyl 2-(aminomethyl)-4-fluoropyrrolidine-1-carboxylate 
KS-0000042X 
AK170802 
AS-39807 
CS-0048608 
(2S,4R)-1-Boc-2-(Aminomethyl)-4-fluoropyrrolidine 
tert-Butyl (2S,4R)-2-(aminomethyl)-4-fluoro-pyrrolidine-1-carboxylate 
1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-4-fluoro-, 1,1-dimethylethyl ester, (2S,4R)- 
tert-Butyl (2S,4R)-2-(aminomethyl)-4-fluoro-1-pyrrolidinecarboxylate 
tert-butyl (2S,4R)-2-(aminomethyl)-4-fluoropyrrolidine-1-carboxylate 
MFCD23106393 
ZINC95743220 
AKOS025290875 
FCH2882246 
PB37378 
SB10781 
Literature
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