Home Other Building Blocks [6-(trifluoromethyl)oxan-2-yl]methanamine hydrochloride, Mixture of diastereomers

[6-(trifluoromethyl)oxan-2-yl]methanamine hydrochloride, Mixture of diastereomers

CAS No.:
2126163-16-2
Catalog Number:
AG01EJOF
Molecular Formula:
C7H13ClF3NO
Molecular Weight:
219.6324
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Product Description
Catalog Number:
AG01EJOF
Chemical Name:
[6-(trifluoromethyl)oxan-2-yl]methanamine hydrochloride, Mixture of diastereomers
CAS Number:
2126163-16-2
Molecular Formula:
C7H13ClF3NO
Molecular Weight:
219.6324
MDL Number:
MFCD31381472
IUPAC Name:
[6-(trifluoromethyl)oxan-2-yl]methanamine;hydrochloride
InChI:
InChI=1S/C7H12F3NO.ClH/c8-7(9,10)6-3-1-2-5(4-11)12-6;/h5-6H,1-4,11H2;1H
InChI Key:
AKWBXKNCOMNUHT-UHFFFAOYSA-N
SMILES:
NCC1CCCC(O1)C(F)(F)F.Cl
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
219.632g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties