Home Carboxys tert-butyl 8-amino-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate

tert-butyl 8-amino-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate

CAS No.:
1205748-90-8
Catalog Number:
AG01BVLA
Molecular Formula:
C14H20N2O3
Molecular Weight:
264.3202
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Product Description
Catalog Number:
AG01BVLA
Chemical Name:
tert-butyl 8-amino-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate
CAS Number:
1205748-90-8
Molecular Formula:
C14H20N2O3
Molecular Weight:
264.3202
MDL Number:
MFCD14582640
IUPAC Name:
tert-butyl 8-amino-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
InChI:
InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-6-7-18-12-8-11(15)5-4-10(12)9-16/h4-5,8H,6-7,9,15H2,1-3H3
InChI Key:
YTLWAUXRZLJQAH-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)OCCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.147g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.325g/mol
Monoisotopic Mass:
264.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties