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Home Aminos 4-amino-4-(trifluoromethyl)cyclohexan-1-ol hydrochloride, Mixture of isomers

4-amino-4-(trifluoromethyl)cyclohexan-1-ol hydrochloride, Mixture of isomers

CAS No.:
1803606-71-4
Catalog Number:
AG01BEQQ
Molecular Formula:
C7H13ClF3NO
Molecular Weight:
219.6324
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Product Description
Catalog Number:
AG01BEQQ
Chemical Name:
4-amino-4-(trifluoromethyl)cyclohexan-1-ol hydrochloride, Mixture of isomers
CAS Number:
1803606-71-4
Molecular Formula:
C7H13ClF3NO
Molecular Weight:
219.6324
MDL Number:
MFCD28118399
IUPAC Name:
4-amino-4-(trifluoromethyl)cyclohexan-1-ol;hydrochloride
InChI:
InChI=1S/C7H12F3NO.ClH/c8-7(9,10)6(11)3-1-5(12)2-4-6;/h5,12H,1-4,11H2;1H
InChI Key:
AYZDDFVHPNZUIN-UHFFFAOYSA-N
SMILES:
OC1CCC(CC1)(N)C(F)(F)F.Cl
Properties
Complexity:
161  
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:
3  
Isotope Atom Count:
0
Molecular Weight:
219.632g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties