Dde-NH-Pr-OH

CAT: 0024-sc-294275Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-294275Size:5 g

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CAS Number

337340-38-2

Chemical Information

3-[(4,4-Dimethyl-2,6-dioxocyclohex-1-ylidene)ethylamino]-propanol

CAS Number	337340-38-2
PubChem CID	53413492
IUPAC Name	2-[2-(3-hydroxypropylamino)ethylidene]-5,5-dimethylcyclohexane-1,3-dione
Molecular Formula	C13H21NO3
Molecular Weight	239.31
XLogP	0.4
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	310

SMILES

CC1(CC(=O)C(=CCNCCCO)C(=O)C1)C

InChI

InChI=1S/C13H21NO3/c1-13(2)8-11(16)10(12(17)9-13)4-6-14-5-3-7-15/h4,14-15H,3,5-9H2,1-2H3

InChIKey

YWKKRMRZDXWGFG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 337340-38-2

CID: 53413492

Formula: C13H21NO3

MW: 239.31

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	239.31
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	239.15214353
Monoisotopic Mass	239.15214353
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	310
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes