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AL 1612

CAT: 0013-GTR19195766-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195766-01Size:25 mg
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Description
AL 1612
CAS Number
25331-92-4
Smiles
CCc1c (C) [nH]c2CCC (CN3CCC4 (CC3) OCCO4) C (=O) c12
Molecular Formula
C19H28N2O3
Molecular Weight
332.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AL 1612

structure

CAS Number25331-92-4
PubChem CID32888
IUPAC Name5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one
Molecular FormulaC19H28N2O3
Molecular Weight332.4
XLogP2.1
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity467
SMILES
CCC1=C(NC2=C1C(=O)C(CC2)CN3CCC4(CC3)OCCO4)C
InChI
InChI=1S/C19H28N2O3/c1-3-15-13(2)20-16-5-4-14(18(22)17(15)16)12-21-8-6-19(7-9-21)23-10-11-24-19/h14,20H,3-12H2,1-2H3
InChIKey
HEYLEFPQDGEAMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AL 1612
CAS: 25331-92-4
CID: 32888
Formula: C19H28N2O3
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass332.20999276
Monoisotopic Mass332.20999276
Topological Polar Surface Area54.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity467
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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