Home Aminos 4-[benzyl(methyl)amino]-3-hydroxybutanoic acid

4-[benzyl(methyl)amino]-3-hydroxybutanoic acid

CAS No.:
1548471-02-8
Catalog Number:
AG01AE7A
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
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Product Description
Catalog Number:
AG01AE7A
Chemical Name:
4-[benzyl(methyl)amino]-3-hydroxybutanoic acid
CAS Number:
1548471-02-8
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
MDL Number:
MFCD24305078
IUPAC Name:
4-[benzyl(methyl)amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C12H17NO3/c1-13(9-11(14)7-12(15)16)8-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,16)
InChI Key:
LFAWWCUFJGWHON-UHFFFAOYSA-N
SMILES:
CN(Cc1ccccc1)CC(CC(=O)O)O
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  
Properties