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Home > Pyridines > 1422061-46-8
1422061-46-8 | (4R,4aR,9aR)-4-((cyclopropylmethoxy)methyl)-2-methyldecahydro-1H-pyrido[3,4-d]azepin-1-one
CAS No: 1422061-46-8 Catalog No: AG01DI7U MDL No:
Product Description
Catalog Number:
AG01DI7U
Chemical Name:
(4R,4aR,9aR)-4-((cyclopropylmethoxy)methyl)-2-methyldecahydro-1H-pyrido[3,4-d]azepin-1-one
CAS Number:
1422061-46-8
Molecular Formula:
C15H26N2O2
Molecular Weight:
266.3791
IUPAC Name:
(4R,4aR,9aR)-4-(cyclopropylmethoxymethyl)-2-methyl-4,4a,5,6,7,8,9,9a-octahydro-3H-pyrido[3,4-d]azepin-1-one
InChI:
InChI=1S/C15H26N2O2/c1-17-8-12(10-19-9-11-2-3-11)13-4-6-16-7-5-14(13)15(17)18/h11-14,16H,2-10H2,1H3/t12-,13-,14-/m1/s1
InChI Key:
BMHZZARKGJGYOI-MGPQQGTHSA-N
SMILES:
O=C1N(C)C[C@@H]([C@@H]2[C@H]1CCNCC2)COCC1CC1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
266.199g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.385g/mol
Monoisotopic Mass:
266.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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