Propoctamine

CAT: 1596-AR-P03117-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P03117-06Size:250 Units

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CAS Number

3687-16-9

Synonyms

N1, N3-bis (2-ethylhexyl) -2-methylpropane-1,2,3-triamine; N1, N3-Bis (?-ethylhexyl) -2-methyl-1,2,3-propanetriamine; Propoctamine

Molecular Formula

C20H45N3

Molecular Weight

327.6

API Name

Propoctamine

Chemical Information

Propoctamine

for treatment of leptospiruria; structure

CAS Number	3687-16-9
PubChem CID	107147
IUPAC Name	1-N,3-N-bis(2-ethylhexyl)-2-methylpropane-1,2,3-triamine
Molecular Formula	C20H45N3
Molecular Weight	327.6
XLogP	4.9
Topological Polar Surface Area	50.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Heavy Atom Count	23
Formal Charge	0
Complexity	233

SMILES

CCCCC(CC)CNCC(C)(CNCC(CC)CCCC)N

InChI

InChI=1S/C20H45N3/c1-6-10-12-18(8-3)14-22-16-20(5,21)17-23-15-19(9-4)13-11-7-2/h18-19,22-23H,6-17,21H2,1-5H3

InChIKey

STNVDPRWLDHKCY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3687-16-9

CID: 107147

Formula: C20H45N3

MW: 327.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	327.6
XLogP3	4.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Exact Mass	327.361348448
Monoisotopic Mass	327.361348448
Topological Polar Surface Area	50.1 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	233
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FP178374-01	Propoctamine