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1170390-54-1 | 1,4-Oxazepine-4(5H)-carboxylic acid, 6-aminotetrahydro-, 1,1-dimethylethyl ester
CAS No: 1170390-54-1 Catalog No: AG000DLK MDL No:MFCD12964084
Product Description
Catalog Number:
AG000DLK
Chemical Name:
1,4-Oxazepine-4(5H)-carboxylic acid, 6-aminotetrahydro-, 1,1-dimethylethyl ester
CAS Number:
1170390-54-1
Molecular Formula:
C10H20N2O3
Molecular Weight:
216.2774
MDL Number:
MFCD12964084
IUPAC Name:
tert-butyl 6-amino-1,4-oxazepane-4-carboxylate
InChI:
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-7-8(11)6-12/h8H,4-7,11H2,1-3H3
InChI Key:
QIAURBVQLIUTQH-UHFFFAOYSA-N
SMILES:
NC1COCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.281g/mol
Monoisotopic Mass:
216.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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