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N-Nitrosodesipramine

CAT: 0572-TRC-N137390-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N137390-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57164-17-7
Synonyms
10,11-Dihydro-N-methyl-N-nitroso-5H-dibenz[b,f]azepine-5-propanamine
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CN(CCCN1c2ccccc2CCc3ccccc13)N=O
Molecular Formula
C18H21N3O
Molecular Weight
295.38
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Nitrosodesipramine
CAS Number57164-17-7
PubChem CID162811
IUPAC NameN-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylnitrous amide
Molecular FormulaC18H21N3O
Molecular Weight295.4
XLogP5.3
Topological Polar Surface Area35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity338
SMILES
CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)N=O
InChI
InChI=1S/C18H21N3O/c1-20(19-22)13-6-14-21-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)21/h2-5,7-10H,6,11-14H2,1H3
InChIKey
OZJGLIPPPYOOCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Nitrosodesipramine
CAS: 57164-17-7
CID: 162811
Formula: C18H21N3O
MW: 295.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.4
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass295.168462302
Monoisotopic Mass295.168462302
Topological Polar Surface Area35.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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