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Home > Pyridines > 1422067-09-1
1422067-09-1 | 1,1-dimethyl-3-(((3S,3aR,7aR)-octahydrofuro[3,4-c]pyridin-3-yl)methyl)urea
CAS No: 1422067-09-1 Catalog No: AG01DKCI MDL No:
Product Description
Catalog Number:
AG01DKCI
Chemical Name:
1,1-dimethyl-3-(((3S,3aR,7aR)-octahydrofuro[3,4-c]pyridin-3-yl)methyl)urea
CAS Number:
1422067-09-1
Molecular Formula:
C11H21N3O2
Molecular Weight:
227.3033
IUPAC Name:
3-[[(3S,3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydrofuro[3,4-c]pyridin-3-yl]methyl]-1,1-dimethylurea
InChI:
InChI=1S/C11H21N3O2/c1-14(2)11(15)13-6-10-9-5-12-4-3-8(9)7-16-10/h8-10,12H,3-7H2,1-2H3,(H,13,15)/t8-,9-,10+/m0/s1
InChI Key:
YNYXMVDJPYCZPH-LPEHRKFASA-N
SMILES:
O=C(N(C)C)NC[C@H]1OC[C@H]2[C@@H]1CNCC2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
227.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.308g/mol
Monoisotopic Mass:
227.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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