Home Aminos 3-(ethylamino)butanoic acid

3-(ethylamino)butanoic acid

CAS No.:
859284-78-9
Catalog Number:
AG01A9MT
Molecular Formula:
C6H13NO2
Molecular Weight:
131.1729
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Product Description
Catalog Number:
AG01A9MT
Chemical Name:
3-(ethylamino)butanoic acid
CAS Number:
859284-78-9
Molecular Formula:
C6H13NO2
Molecular Weight:
131.1729
MDL Number:
MFCD12131691
IUPAC Name:
3-(ethylamino)butanoic acid
InChI:
InChI=1S/C6H13NO2/c1-3-7-5(2)4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
InChI Key:
NKDCZZABOMHICR-UHFFFAOYSA-N
SMILES:
CC(NCC)CC(=O)O
Properties
Complexity:
93.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.095g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
131.175g/mol
Monoisotopic Mass:
131.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2  
Properties