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Trans-AzCA4

CAT: 0013-GTR19268589-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19268589-01Size:10 mg
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Description
Trans-AzCA4 is a photoresponsive lipid.
CAS Number
2260670-59-3
Smiles
N (=N/C1=CC=C (CCCC) C=C1) \C2=CC=C (CCCC (NCC3=CC (O) =C (OC) C=C3) =O) C=C2
Molecular Formula
C28H33N3O3
Molecular Weight
459.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Trans-AzCA4
CAS Number2260670-59-3
PubChem CID146173834
IUPAC Name4-[4-[(4-butylphenyl)diazenyl]phenyl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]butanamide
Molecular FormulaC28H33N3O3
Molecular Weight459.6
XLogP6.6
Topological Polar Surface Area83.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count34
Formal Charge0
Complexity598
SMILES
CCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)CCCC(=O)NCC3=CC(=C(C=C3)OC)O
InChI
InChI=1S/C28H33N3O3/c1-3-4-6-21-9-14-24(15-10-21)30-31-25-16-11-22(12-17-25)7-5-8-28(33)29-20-23-13-18-27(34-2)26(32)19-23/h9-19,32H,3-8,20H2,1-2H3,(H,29,33)
InChIKey
OHCVQWRUXLESDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trans-AzCA4
CAS: 2260670-59-3
CID: 146173834
Formula: C28H33N3O3
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP36.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass459.25219192
Monoisotopic Mass459.25219192
Topological Polar Surface Area83.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity598
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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