Home Other Building Blocks 2-Azetidinemethanamine, 1-methyl-, (2S)-, 2,2,2-trifluoroacetate (1:2)

2-Azetidinemethanamine, 1-methyl-, (2S)-, 2,2,2-trifluoroacetate (1:2)

CAS No.:
2007919-76-6
Catalog Number:
AG002CZD
Molecular Formula:
C9H14F6N2O4
Molecular Weight:
328.2089
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Product Description
Catalog Number:
AG002CZD
Chemical Name:
2-Azetidinemethanamine, 1-methyl-, (2S)-, 2,2,2-trifluoroacetate (1:2)
CAS Number:
2007919-76-6
Molecular Formula:
C9H14F6N2O4
Molecular Weight:
328.2089
MDL Number:
MFCD30471600
IUPAC Name:
[(2S)-1-methylazetidin-2-yl]methanamine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C5H12N2.2C2HF3O2/c1-7-3-2-5(7)4-6;2*3-2(4,5)1(6)7/h5H,2-4,6H2,1H3;2*(H,6,7)/t5-;;/m0../s1
InChI Key:
VKOUSHWUINTLGJ-XRIGFGBMSA-N
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NC[C@@H]1CCN1C
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
328.086g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
328.211g/mol
Monoisotopic Mass:
328.086g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties