Products for Research Use Only
RegisterLogin

Paniculidine A

CAT: 0926-XDA39993-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-XDA39993-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
97399-93-4
MDL Number
MFCD20274562
Smiles
CC (CCC1=CNC2=CC=CC=C21) C (=O) OC
Molecular Formula
C14H17NO2
Molecular Weight
231.29 g/mol
Controlled
No

Chemical Information

Methyl (2r)-4-(1h-indol-3-yl)-2-methylbutanoate

methyl (2R)-4-(1H-indol-3-yl)-2-methylbutanoate has been reported in Murraya paniculata with data available.

CAS Number97399-93-4
PubChem CID14166403
IUPAC Namemethyl (2R)-4-(1H-indol-3-yl)-2-methylbutanoate
Molecular FormulaC14H17NO2
Molecular Weight231.29
XLogP3.2
Topological Polar Surface Area42.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity267
SMILES
C[C@H](CCC1=CNC2=CC=CC=C21)C(=O)OC
InChI
InChI=1S/C14H17NO2/c1-10(14(16)17-2)7-8-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3/t10-/m1/s1
InChIKey
OSINFMIOMWBGDS-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of Methyl (2r)-4-(1h-indol-3-yl)-2-methylbutanoate
CAS: 97399-93-4
CID: 14166403
Formula: C14H17NO2
MW: 231.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.29
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass231.125928785
Monoisotopic Mass231.125928785
Topological Polar Surface Area42.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity267
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T83583-01(±) -Paniculidine A
582814Paniculidine A
MBS5825232(+/-)-Paniculidine A
CS-BT-00490Paniculidine C
TN4736Paniculidine B

Popular Products