200,000+ products from a single source!
sales@angenechem.com
1170390-55-2 | 1,4-Oxazepine-4(5H)-carboxylic acid, 6-aminotetrahydro-, 1,1-dimethylethyl ester, ethanedioate (1:1)
CAS No: 1170390-55-2 Catalog No: AG000DLJ MDL No:
Product Description
Catalog Number:
AG000DLJ
Chemical Name:
1,4-Oxazepine-4(5H)-carboxylic acid, 6-aminotetrahydro-, 1,1-dimethylethyl ester, ethanedioate (1:1)
CAS Number:
1170390-55-2
Molecular Formula:
C12H22N2O7
Molecular Weight:
306.3123
IUPAC Name:
tert-butyl 6-amino-1,4-oxazepane-4-carboxylate;oxalic acid
InChI:
InChI=1S/C10H20N2O3.C2H2O4/c1-10(2,3)15-9(13)12-4-5-14-7-8(11)6-12;3-1(4)2(5)6/h8H,4-7,11H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
KAGWWGUBOXEBRJ-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NC1COCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.315g/mol
Monoisotopic Mass:
306.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.