Home Aminos 2-methoxyethyl (3S)-3-(aminomethyl)-5-methylhexanoate, trifluoroacetic acid

2-methoxyethyl (3S)-3-(aminomethyl)-5-methylhexanoate, trifluoroacetic acid

CAS No.:
1955473-98-9
Catalog Number:
AG01B4VB
Molecular Formula:
C13H24F3NO5
Molecular Weight:
331.3286
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Product Description
Catalog Number:
AG01B4VB
Chemical Name:
2-methoxyethyl (3S)-3-(aminomethyl)-5-methylhexanoate, trifluoroacetic acid
CAS Number:
1955473-98-9
Molecular Formula:
C13H24F3NO5
Molecular Weight:
331.3286
MDL Number:
MFCD29991804
IUPAC Name:
2-methoxyethyl 3-(aminomethyl)-5-methylhexanoate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C11H23NO3.C2HF3O2/c1-9(2)6-10(8-12)7-11(13)15-5-4-14-3;3-2(4,5)1(6)7/h9-10H,4-8,12H2,1-3H3;(H,6,7)
InChI Key:
WROWPCABRKCURM-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.COCCOC(=O)C[C@H](CC(C)C)CN
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.161g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
331.332g/mol
Monoisotopic Mass:
331.161g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties