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889942-34-1 | 1-Azetidinecarboxylicacid, 2-amino-, 1,1-dimethylethyl ester
CAS No: 889942-34-1 Catalog No: AG00466N MDL No:
Product Description
Catalog Number:
AG00466N
Chemical Name:
1-Azetidinecarboxylicacid, 2-amino-, 1,1-dimethylethyl ester
CAS Number:
889942-34-1
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
IUPAC Name:
tert-butyl 2-aminoazetidine-1-carboxylate
InChI:
InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-5-4-6(10)9/h6H,4-5,9H2,1-3H3
InChI Key:
BAKFOMLJJXOWFU-UHFFFAOYSA-N
SMILES:
NC1CCN1C(=O)OC(C)(C)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.228g/mol
Monoisotopic Mass:
172.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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