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Northiaden

CAT: 0572-TRC-N830050-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N830050-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1154-09-2
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CNCC\C=C/1\c2ccccc2CSc3ccccc13
Molecular Formula
C18 H19 N S
Molecular Weight
281.42
InChI
InChI=1S/C18H19NS/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3/b16-10-
Additionnal Information
IUPAC name: (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N-methylpropan-1-amine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Northiaden

Northiaden is a dibenzothiepine.

CAS Number1154-09-2
PubChem CID1715123
IUPAC Name(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N-methylpropan-1-amine
Molecular FormulaC18H19NS
Molecular Weight281.4
XLogP4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity338
SMILES
CNCC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31
InChI
InChI=1S/C18H19NS/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3/b16-10+
InChIKey
FTELXJYVTOFJAI-MHWRWJLKSA-N
Chemical Structure
2D Structure
2D structure of Northiaden
CAS: 1154-09-2
CID: 1715123
Formula: C18H19NS
MW: 281.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.4
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass281.12382078
Monoisotopic Mass281.12382078
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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