Home Aminos 4,4-dimethyl-2-(methylamino)pentanoic acid

4,4-dimethyl-2-(methylamino)pentanoic acid

CAS No.:
1310079-62-9
Catalog Number:
AG01B7TI
Molecular Formula:
C8H17NO2
Molecular Weight:
159.2261
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Product Description
Catalog Number:
AG01B7TI
Chemical Name:
4,4-dimethyl-2-(methylamino)pentanoic acid
CAS Number:
1310079-62-9
Molecular Formula:
C8H17NO2
Molecular Weight:
159.2261
MDL Number:
MFCD17254804
IUPAC Name:
4,4-dimethyl-2-(methylamino)pentanoic acid
InChI:
InChI=1S/C8H17NO2/c1-8(2,3)5-6(9-4)7(10)11/h6,9H,5H2,1-4H3,(H,10,11)
InChI Key:
XKQSRLFMHOHZQR-UHFFFAOYSA-N
SMILES:
CNC(C(=O)O)CC(C)(C)C
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.126g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
159.229g/mol
Monoisotopic Mass:
159.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties