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1009376-76-4,MFCD29922375
Catalog No.:AA00035R
1009376-76-4 | 1-tert-Butyl 3-methyl (3r,6s)-rel-6-methylpiperidine-1,3-dicarboxylate
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Purity
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1g
97%
1 week  
$589.00   $412.00
- +
5g
97%
1 week  
$1,666.00   $1,167.00
- +
10g
97%
1 week  
$2,744.00   $1,921.00
- +
25g
97%
1 week  
$5,439.00   $3,808.00
- +
50g
97%
1 week  
$9,119.00   $6,383.00
- +
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Technical Information
Catalog Number:
AA00035R
Chemical Name:
1-tert-Butyl 3-methyl (3r,6s)-rel-6-methylpiperidine-1,3-dicarboxylate
CAS Number:
1009376-76-4
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
MDL Number:
MFCD29922375
IUPAC Name:
1-O-tert-butyl 3-O-methyl (3R,6S)-6-methylpiperidine-1,3-dicarboxylate
InChI:
InChI=1S/C13H23NO4/c1-9-6-7-10(11(15)17-5)8-14(9)12(16)18-13(2,3)4/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1
InChI Key:
HDRXORRYMWSTTC-VHSXEESVSA-N
SMILES:
COC(=O)[C@@H]1CC[C@@H](N(C1)C(=O)OC(C)(C)C)C
Properties
Computed Properties
 
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
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:
0
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
1009376-76-4 
1-tert-butyl 3-methyl (3R,6S)-rel-6-methylpiperidine-1,3-dicarboxylate 
MFCD29922375 
ZINC95642807 
AKOS027338397 
SB23101 
SB23103 
KS-000008P3 
AS-52543 
CS-0058672 
1-t-Butyl 3-methyl (3R,6S)-6-methylpiperidine-1,3-dicarboxylate 
(3R,6S)-1-tert-Butyl 3-Methyl 6-Methylpiperidine-1,3-dicarboxylate 
1-tert-butyl 3-methyl (3R,6S)-6-methylpiperidine-1,3-dicarboxylate 
(3R,6S)-1-tert-Butyl-3-methyl 6-methylpiperidine-1,3-dicarboxylate 
1009377-05-2 
1-tert-Butyl 3-methyl cis-6-methylpiperidine-1,3-dicarboxylate 
1,3-piperidinedicarboxylic acid, 6-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester, (3R,6S)-rel- 
cis-1-tert-Butyl 3-methyl 6-methylpiperidine-1,3-dicarboxylate 
SCHEMBL3299171 
HDRXORRYMWSTTC-VHSXEESVSA-N 
MFCD29472370 
Literature
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