9A1P9 (Lidophos)

CAT: 1118-LP-R4-519-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:1118-LP-R4-519-01Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2760467-57-8

Purity

≥98% (HPLC)

Molecular Weight

491.74

Chemical Information

2-(Dioctylamino)ethyl nonyl hydrogen phosphate

CAS Number	2760467-57-8
PubChem CID	162340881
IUPAC Name	2-(dioctylamino)ethyl nonyl hydrogen phosphate
Molecular Formula	C27H58NO4P
Molecular Weight	491.7
XLogP	7.5
Topological Polar Surface Area	59
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	27
Heavy Atom Count	33
Formal Charge	0
Complexity	420

SMILES

CCCCCCCCCOP(=O)(O)OCCN(CCCCCCCC)CCCCCCCC

InChI

InChI=1S/C27H58NO4P/c1-4-7-10-13-16-19-22-26-31-33(29,30)32-27-25-28(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-27H2,1-3H3,(H,29,30)

InChIKey

CSATVJSROKNRKV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2760467-57-8

CID: 162340881

Formula: C27H58NO4P

MW: 491.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	491.7
XLogP3	7.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	27
Exact Mass	491.41034633
Monoisotopic Mass	491.41034633
Topological Polar Surface Area	59 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	420
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

Catalog	Name
GTR19232688-01	9A1P9