Phosphoric Acid Triheptyl Ester

CAT: 0024-sc-477482Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-477482Size:1 g

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CAS Number

4621-50-5

Chemical Information

Triheptyl phosphate

CAS Number	4621-50-5
PubChem CID	525009
IUPAC Name	triheptyl phosphate
Molecular Formula	C21H45O4P
Molecular Weight	392.6
XLogP	8.1
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	21
Heavy Atom Count	26
Formal Charge	0
Complexity	276

SMILES

CCCCCCCOP(=O)(OCCCCCCC)OCCCCCCC

InChI

InChI=1S/C21H45O4P/c1-4-7-10-13-16-19-23-26(22,24-20-17-14-11-8-5-2)25-21-18-15-12-9-6-3/h4-21H2,1-3H3

InChIKey

GSURLQOINUQIIH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4621-50-5

CID: 525009

Formula: C21H45O4P

MW: 392.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	392.6
XLogP3	8.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	21
Exact Mass	392.30554691
Monoisotopic Mass	392.30554691
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	276
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
sc-478693	Phosphoric Acid Diethyl Ester
sc-478693A	Phosphoric Acid Diethyl Ester
sc-478693B	Phosphoric Acid Diethyl Ester
sc-477438	Phosphoric Acid Trinonyl Ester
sc-477471	Phosphoric Acid Dioctyl Ester
sc-478911	Phosphoric Acid Trisdecyl Ester
sc-477449	Phosphoric Acid Diethyl Octyl Ester
sc-477504	Phosphoric Acid Dibenzyl Ester Silver Salt
sc-215713A	Phosphoric acid
sc-215713	Phosphoric acid

Catalog	Name
462524-01	Phosphoric Acid Triheptyl Ester
462516-01	Phosphoric Acid Diethyl Ester
019645	Phosphoric Acid Dibenzyl Ester
CS-T-83941	Phosphoric Acid Tributyl Ester
DAA11539-01	Phosphoric acid dioctyl ester
462533-01	Phosphoric Acid Trisdecyl Ester
TRC-P359395-5G	Phosphoric Acid Tripropyl Ester
OR1051770-01	Phosphoric acid, dioctyl ester
462525-01	Phosphoric Acid Trinonyl Ester
2528-40-7	Phosphoric acid, tricyclohexyl ester