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Home > Other Heterocycles > 1312325-17-9
1312325-17-9 | (2-Oxa-6-aza-spiro[3.4]oct-8-ylmethyl)-carbamic acid tert-butyl ester
CAS No: 1312325-17-9 Catalog No: AG00JQJR MDL No:MFCD24369430
Product Description
Catalog Number:
AG00JQJR
Chemical Name:
(2-Oxa-6-aza-spiro[3.4]oct-8-ylmethyl)-carbamic acid tert-butyl ester
CAS Number:
1312325-17-9
Molecular Formula:
C12H22N2O3
Molecular Weight:
242.3147
MDL Number:
MFCD24369430
IUPAC Name:
tert-butyl N-(2-oxa-7-azaspiro[3.4]octan-5-ylmethyl)carbamate
InChI:
InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-5-9-4-13-6-12(9)7-16-8-12/h9,13H,4-8H2,1-3H3,(H,14,15)
InChI Key:
GYKWVGBRKUFDKG-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CNCC21COC2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.319g/mol
Monoisotopic Mass:
242.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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