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Home Other Building Blocks OCTAHYDRO-2H-1,3-BENZOXAZINE

OCTAHYDRO-2H-1,3-BENZOXAZINE

CAS No.:
90204-04-9
Catalog Number:
AG01DWT7
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
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Product Description
Catalog Number:
AG01DWT7
Chemical Name:
OCTAHYDRO-2H-1,3-BENZOXAZINE
CAS Number:
90204-04-9
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
MDL Number:
MFCD24498600
IUPAC Name:
3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine
InChI:
InChI=1S/C8H15NO/c1-2-4-8-7(3-1)5-9-6-10-8/h7-9H,1-6H2
InChI Key:
FUZGOPSYMYKTHO-UHFFFAOYSA-N
SMILES:
C1CCC2C(C1)OCNC2
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.115g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
141.214g/mol
Monoisotopic Mass:
141.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Highly homogeneous stereocontrolled construction of quaternary hydroxyesters by addition of dimethylzinc to α-ketoesters promoted by chiral perhydrobenzoxazines and B(OEt)3. Chemistry (Weinheim an der Bergstrasse, Germany) 20120402
Properties