Home Other Building Blocks 4-(diethylcarbamoyl)butanoic acid

4-(diethylcarbamoyl)butanoic acid

CAS No.:
30436-23-8
Catalog Number:
AG01A9HA
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
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Product Description
Catalog Number:
AG01A9HA
Chemical Name:
4-(diethylcarbamoyl)butanoic acid
CAS Number:
30436-23-8
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
MDL Number:
MFCD03376264
IUPAC Name:
5-(diethylamino)-5-oxopentanoic acid
InChI:
InChI=1S/C9H17NO3/c1-3-10(4-2)8(11)6-5-7-9(12)13/h3-7H2,1-2H3,(H,12,13)
InChI Key:
XYMWLIJFLBQNMI-UHFFFAOYSA-N
SMILES:
CCN(C(=O)CCCC(=O)O)CC
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties