Home Other Building Blocks [3-(trifluoromethyl)adamantan-1-yl]methanamine hydrochloride

[3-(trifluoromethyl)adamantan-1-yl]methanamine hydrochloride

CAS No.:
1423034-08-5
Catalog Number:
AG01A2A4
Molecular Formula:
C12H19ClF3N
Molecular Weight:
269.7342
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Product Description
Catalog Number:
AG01A2A4
Chemical Name:
[3-(trifluoromethyl)adamantan-1-yl]methanamine hydrochloride
CAS Number:
1423034-08-5
Molecular Formula:
C12H19ClF3N
Molecular Weight:
269.7342
MDL Number:
MFCD22566086
IUPAC Name:
[3-(trifluoromethyl)-1-adamantyl]methanamine;hydrochloride
InChI:
InChI=1S/C12H18F3N.ClH/c13-12(14,15)11-4-8-1-9(5-11)3-10(2-8,6-11)7-16;/h8-9H,1-7,16H2;1H
InChI Key:
FQJJGPQHZGLHRB-UHFFFAOYSA-N
SMILES:
NCC12CC3CC(C1)CC(C2)(C3)C(F)(F)F.Cl
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.116g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
269.736g/mol
Monoisotopic Mass:
269.116g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties