Paniculidine C

CAT: 0926-XDA39995-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-XDA39995-01Size:10 mg

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CAS Number

97399-95-6

MDL Number

MFCD17214815

Smiles

CC (CCC1=CNC2=CC=CC=C21) CO

Molecular Formula

C13H17NO

Molecular Weight

203.28 g/mol

Controlled

Chemical Information

Paniculidine C

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

CAS Number	97399-95-6
PubChem CID	14193918
IUPAC Name	(2R)-4-(1H-indol-3-yl)-2-methylbutan-1-ol
Molecular Formula	C13H17NO
Molecular Weight	203.28
XLogP	2.9
Topological Polar Surface Area	36
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	195

SMILES

C[C@H](CCC1=CNC2=CC=CC=C21)CO

InChI

InChI=1S/C13H17NO/c1-10(9-15)6-7-11-8-14-13-5-3-2-4-12(11)13/h2-5,8,10,14-15H,6-7,9H2,1H3/t10-/m1/s1

InChIKey

OJDRKMFRRDQIRV-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 97399-95-6

CID: 14193918

Formula: C13H17NO

MW: 203.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.28
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	203.131014166
Monoisotopic Mass	203.131014166
Topological Polar Surface Area	36 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	195
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
XDA39993-01	Paniculidine A
XDA39994-01	Paniculidine B
CRB1110654-01	AAA-C (AF647) C-Terminal Sortagging
CRB1110653-01	GGG-C (AF647) C-Terminal Sortagging
ZAA26005-01	C-Cyclopentyl-C-phenyl-methylamine hydrochloride
ZCA04871-01	Lancifolin C
FC52284-01	C-390
FBA48927-01	Alisol C
KPC04662-01	Aspidostomide C
KFA24794-01	Trijuganone C