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1027512-23-7,MFCD10687157
Catalog No.:AA00087F
1027512-23-7 | 1-Boc-4-methylazepane-4-carboxylic acid
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250mg
97%
1 week  
$1,014.00   $710.00
- +
1g
97%
1 week  
$2,458.00   $1,721.00
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Technical Information
Catalog Number:
AA00087F
Chemical Name:
1-Boc-4-methylazepane-4-carboxylic acid
CAS Number:
1027512-23-7
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
MDL Number:
MFCD10687157
IUPAC Name:
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-4-carboxylic acid
InChI:
InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-8-5-6-13(4,7-9-14)10(15)16/h5-9H2,1-4H3,(H,15,16)
InChI Key:
FUDNGUAYMRYCCT-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(CC1)(C)C(=O)O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.163g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
1027512-23-7 
1-(tert-Butoxycarbonyl)-4-methylazepane-4-carboxylic acid 
KS-00001A94 
AS-36876 
AB0034467 
AX8226621 
ST2403289 
TC-135326 
X8625 
X-3709 
4-Methylazepane-1,4-dicarboxylic acid 1-tert-butyl ester 
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-4-carboxylic acid 
1-Boc-4-methylazepane-4-carboxylic acid 
C13H23NO4 
1-(tert-Butoxycarbonyl)-4-methylazepane-4-carboxylicacid 
SCHEMBL14709673 
CTK8B4874 
DTXSID70674237 
ANW-46581 
MFCD10687157 
AKOS015998826 
FCH1627698 
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