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471938-27-9,MFCD16653413
Catalog No.:AA01AQBE
471938-27-9 | Methyl 1-(4-aminophenyl)piperidine-4-carboxylate
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1g
95%
2 weeks  
$995.00   $697.00
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Technical Information
Catalog Number:
AA01AQBE
Chemical Name:
Methyl 1-(4-aminophenyl)piperidine-4-carboxylate
CAS Number:
471938-27-9
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
MDL Number:
MFCD16653413
IUPAC Name:
methyl 1-(4-aminophenyl)piperidine-4-carboxylate
InChI:
InChI=1S/C13H18N2O2/c1-17-13(16)10-6-8-15(9-7-10)12-4-2-11(14)3-5-12/h2-5,10H,6-9,14H2,1H3
InChI Key:
OEQSWCGRASUTKP-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN(CC1)c1ccc(cc1)N
Properties
Computed Properties
 
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
methyl 1-(4-aminophenyl)piperidine-4-carboxylate 
471938-27-9 
1-(4-Aminophenyl)piperidine-4-carboxylic acid methyl ester 
SCHEMBL16611364 
OEQSWCGRASUTKP-UHFFFAOYSA-N 
ZINC56895841 
AKOS015957577 
MCULE-5194060477 
VU0494922-1 
L-3084 
F2190-0678 
Literature
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