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313368-85-3 | (6bR,10aS)-3-Methyl-2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline
CAS No: 313368-85-3 Catalog No: AG00I5WT MDL No:
Product Description
Catalog Number:
AG00I5WT
Chemical Name:
(6bR,10aS)-3-Methyl-2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline
CAS Number:
313368-85-3
Molecular Formula:
C14H19N3
Molecular Weight:
229.3208
IUPAC Name:
(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
InChI:
InChI=1S/C14H19N3/c1-16-7-8-17-12-5-6-15-9-11(12)10-3-2-4-13(16)14(10)17/h2-4,11-12,15H,5-9H2,1H3/t11-,12-/m0/s1
InChI Key:
QLGUCSLWLPCOTR-RYUDHWBXSA-N
SMILES:
CN1CCN2c3c1cccc3[C@H]1[C@@H]2CCNC1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
229.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.327g/mol
Monoisotopic Mass:
229.158g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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