Home Amines 545352-96-3
545352-96-3,MFCD03388374
Catalog No.:AA00DAOO
545352-96-3 | 2-[(Propylamino)carbonyl]cyclohexanecarboxylic acid
Pack Size
Purity
Availability
Price(USD)
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500mg
>95%
3 weeks  
$486.00   $340.00
- +
1g
>95%
3 weeks  
$529.00   $370.00
- +
5g
>95%
3 weeks  
$972.00   $680.00
- +
10g
>95%
3 weeks  
$1,515.00   $1,060.00
- +
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Technical Information
Catalog Number:
AA00DAOO
Chemical Name:
2-[(Propylamino)carbonyl]cyclohexanecarboxylic acid
CAS Number:
545352-96-3
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
MDL Number:
MFCD03388374
IUPAC Name:
2-(propylcarbamoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C11H19NO3/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChI Key:
DUWRESTURQQSES-UHFFFAOYSA-N
SMILES:
CCCNC(=O)C1CCCCC1C(=O)O
Properties
Computed Properties
 
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
545352-96-3 
2-(propylcarbamoyl)cyclohexanecarboxylic acid 
ZX-AN010886 
ZX-CM017308 
5358AE 
BBL037041 
MFCD03388374 
STK241082 
AKOS003886428 
MCULE-8018129749 
BBV-25034049 
ST096264 
2-[(PROPYLAMINO)CARBONYL]CYCLOHEXANECARBOXYLIC ACID 
FT-0684390 
2-(N-propylcarbamoyl)cyclohexanecarboxylic acid 
Y-0328 
AS-662/43412882 
I04-4197 
cyclohexanecarboxylic acid, 2-[(propylamino)carbonyl]- 
C11H19NO3 
CID5210026 
2-(propylcarbamoyl)cyclohexane-1-carboxylic Acid 
2-[(Propylamino)carbonyl]cyclohexane-carboxylic acid 
AC1NPTWM 
CTK5A1506 
DTXSID60410166 
CHEMBRDG-BB 7280257 
ALBB-012078 
Literature
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