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1026796-77-9 | [1,3'-Biazetidine]-1'-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester
CAS No: 1026796-77-9 Catalog No: AG000836 MDL No:
Product Description
Catalog Number:
AG000836
Chemical Name:
[1,3'-Biazetidine]-1'-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester
CAS Number:
1026796-77-9
Molecular Formula:
C11H21N3O2
Molecular Weight:
227.3033
IUPAC Name:
tert-butyl 3-(3-aminoazetidin-1-yl)azetidine-1-carboxylate
InChI:
InChI=1S/C11H21N3O2/c1-11(2,3)16-10(15)14-6-9(7-14)13-4-8(12)5-13/h8-9H,4-7,12H2,1-3H3
InChI Key:
JMLRKNIOMIWIKZ-UHFFFAOYSA-N
SMILES:
NC1CN(C1)C1CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.308g/mol
Monoisotopic Mass:
227.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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