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Home > Other Heterocycles > 1803596-32-8
1803596-32-8 | oxalic acid tert-butyl N-{9-azabicyclo[5.3.1]undecan-11-yl}carbamate
CAS No: 1803596-32-8 Catalog No: AG01BGSX MDL No:MFCD28125242
Product Description
Catalog Number:
AG01BGSX
Chemical Name:
oxalic acid tert-butyl N-{9-azabicyclo[5.3.1]undecan-11-yl}carbamate
CAS Number:
1803596-32-8
Molecular Formula:
C17H30N2O6
Molecular Weight:
358.4299
MDL Number:
MFCD28125242
IUPAC Name:
tert-butyl N-(9-azabicyclo[5.3.1]undecan-11-yl)carbamate;oxalic acid
InChI:
InChI=1S/C15H28N2O2.C2H2O4/c1-15(2,3)19-14(18)17-13-11-7-5-4-6-8-12(13)10-16-9-11;3-1(4)2(5)6/h11-13,16H,4-10H2,1-3H3,(H,17,18);(H,3,4)(H,5,6)
InChI Key:
BDWQJUJVYYRHTC-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.O=C(OC(C)(C)C)NC1C2CNCC1CCCCC2
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.21g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
358.435g/mol
Monoisotopic Mass:
358.21g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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