Home Amines 1018243-04-3
1018243-04-3,MFCD10018440
Catalog No.:AA0005KO
1018243-04-3 | (Cycloheptylamino)(oxo)acetic acid
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1g
95%
in stock  
$74.00   $52.00
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5g
95%
in stock  
$212.00   $148.00
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Technical Information
Catalog Number:
AA0005KO
Chemical Name:
(Cycloheptylamino)(oxo)acetic acid
CAS Number:
1018243-04-3
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD10018440
IUPAC Name:
2-(cycloheptylamino)-2-oxoacetic acid
InChI:
InChI=1S/C9H15NO3/c11-8(9(12)13)10-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,10,11)(H,12,13)
InChI Key:
QLXKKNNCZQOICR-UHFFFAOYSA-N
SMILES:
O=C(C(=O)O)NC1CCCCCC1
Properties
Computed Properties
 
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
(CYCLOHEPTYLAMINO)(OXO)ACETIC ACID 
1018243-04-3 
MFCD10018440 
STL261753 
ZINC19093148 
AKOS005174846 
MCULE-6082382741 
AJ-72041 
Acetic acid, 2-(cycloheptylamino)-2-oxo- 
AB0157954 
FT-0683908 
Y-6289 
2-(Cycloheptylamino)-2-oxoacetic acid 
I04-4380 
C9H15NO3 
(cycloheptylcarbamoyl)formic acid 
CTK4A0278 
DTXSID80651019 
acetic acid, (cycloheptylamino)oxo- 
ALBB-014640 
7463AC 
BBL022678 
Literature
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