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N-Nitrosocytisine

CAT: 0572-TRC-N493765-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N493765-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19634-60-7
Synonyms
(1R,5R)-1,2,3,4,5,6-Hexahydro-3-nitroso-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one; (1R)-1,2,3,4,5,6-Hexahydro-3-nitroso-1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one; 12-nitrosocytisine; Nitrosocytisine
Hazard Statement
Toxic if swallowed; UN number: UN1544; Packing Group: III
Purity
>95% (HPLC)
Smiles
O=NN1C[C@H]2C[C@@H](C1)C3=CC=CC(=O)N3C2
Molecular Formula
C11 H13 N3 O2
Molecular Weight
219.24
InChI
InChI=1S/C11H13N3O2/c15-11-3-1-2-10-9-4-8(6-14(10)11)5-13(7-9)12-16/h1-3,8-9H,4-7H2/t8-,9+/m1/s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(1R,5R)-1,2,3,4,5,6-Hexahydro-3-nitroso-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one
CAS Number19634-60-7
PubChem CID11901010
IUPAC Name(1R,9R)-11-nitroso-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Molecular FormulaC11H13N3O2
Molecular Weight219.24
XLogP0.6
Topological Polar Surface Area53
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity402
SMILES
C1[C@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)N=O
InChI
InChI=1S/C11H13N3O2/c15-11-3-1-2-10-9-4-8(6-14(10)11)5-13(7-9)12-16/h1-3,8-9H,4-7H2/t8-,9+/m0/s1
InChIKey
VIMLBVWHEGYDNW-DTWKUNHWSA-N
Chemical Structure
2D Structure
2D structure of (1R,5R)-1,2,3,4,5,6-Hexahydro-3-nitroso-1,5-methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one
CAS: 19634-60-7
CID: 11901010
Formula: C11H13N3O2
MW: 219.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight219.24
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass219.100776666
Monoisotopic Mass219.100776666
Topological Polar Surface Area53 Ų
Heavy Atom Count16
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes