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1022915-31-6,MFCD11976150
Catalog No.:AA000719
1022915-31-6 | (R)-4-Benzyl-1,4-oxazepan-6-ol
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
2 weeks  
$333.00   $233.00
- +
250mg
95%
2 weeks  
$478.00   $335.00
- +
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Technical Information
Catalog Number:
AA000719
Chemical Name:
(R)-4-Benzyl-1,4-oxazepan-6-ol
CAS Number:
1022915-31-6
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD11976150
IUPAC Name:
(6R)-4-benzyl-1,4-oxazepan-6-ol
InChI:
InChI=1S/C12H17NO2/c14-12-9-13(6-7-15-10-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1
InChI Key:
SQZLCDHCXXQFNQ-GFCCVEGCSA-N
SMILES:
O[C@H]1COCCN(C1)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
1022915-31-6 
(R)-4-Benzyl-[1,4]oxazepan-6-ol 
(R)-4-BENZYL-1,4-OXAZEPAN-6-OL 
(6R)-Hexahydro-4-(phenylmethyl)-1,4-oxazepin-6-ol 
ZINC98181529 
AKOS027325071 
SC-36191 
AJ-142635 
1,4-Oxazepin-6-ol, hexahydro-4-(phenylmethyl)-, (6R)- 
Literature
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