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Way 629 hydrochloride

CAT: 0926-HCA75644-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-HCA75644-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57756-44-2
Smiles
C1CCC2=C (C1) C3=CC=CC4=C3N2CCNC4.Cl
Molecular Formula
C15H19ClN2
Molecular Weight
262.78 g/mol
Controlled
No

Chemical Information

WAY 629 hydrochloride
CAS Number57756-44-2
PubChem CID12259556
IUPAC Name7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene;hydrochloride
Molecular FormulaC15H19ClN2
Molecular Weight262.78
Topological Polar Surface Area17
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity291
SMILES
C1CCC2=C(C1)C3=CC=CC4=C3N2CCNC4.Cl
InChI
InChI=1S/C15H18N2.ClH/c1-2-7-14-12(5-1)13-6-3-4-11-10-16-8-9-17(14)15(11)13;/h3-4,6,16H,1-2,5,7-10H2;1H
InChIKey
PZXUJERSOFOWES-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of WAY 629 hydrochloride
CAS: 57756-44-2
CID: 12259556
Formula: C15H19ClN2
MW: 262.78
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight262.78
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass262.1236763
Monoisotopic Mass262.1236763
Topological Polar Surface Area17 Ų
Heavy Atom Count18
Formal Charge0
Complexity291
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes