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195190-88-6

195190-88-6 | 2-cis-Hydroxymethyl-4-trans-phenyl-1-cyclohexylamine

CAS No: 195190-88-6 Catalog No: AG003878 MDL No:

Product Description

Catalog Number:
AG003878
Chemical Name:
2-cis-Hydroxymethyl-4-trans-phenyl-1-cyclohexylamine
CAS Number:
195190-88-6
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
IUPAC Name:
[(1S,2R,5R)-2-amino-5-phenylcyclohexyl]methanol
InChI:
InChI=1S/C13H19NO/c14-13-7-6-11(8-12(13)9-15)10-4-2-1-3-5-10/h1-5,11-13,15H,6-9,14H2/t11-,12-,13-/m1/s1
InChI Key:
LUMAPUYZQIKJQG-JHJVBQTASA-N
SMILES:
OC[C@H]1C[C@@H](CC[C@H]1N)c1ccccc1

Properties

Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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