Acetyltributyl Citrate Impurity A

CAT: 1596-AR-C07775-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C07775-02Size:25 Units

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CAS Number

77-94-1

Synonyms

Tributyl 2-hydroxypropane-1,2,3-tricarboxylate; Tributyl citrate ; Butyl citrate

Molecular Formula

C18H32O7

Molecular Weight

360.45

API Name

Citric acid

Chemical Information

Tributyl Citrate

Tributyl citrate is a carbonyl compound.

CAS Number	77-94-1
PubChem CID	6507
IUPAC Name	tributyl 2-hydroxypropane-1,2,3-tricarboxylate
Molecular Formula	C18H32O7
Molecular Weight	360.4
XLogP	2.7
Topological Polar Surface Area	99.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	17
Heavy Atom Count	25
Formal Charge	0
Complexity	382

SMILES

CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O

InChI

InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3

InChIKey

ZFOZVQLOBQUTQQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77-94-1

CID: 6507

Formula: C18H32O7

MW: 360.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	360.4
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	17
Exact Mass	360.21480336
Monoisotopic Mass	360.21480336
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	382
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
AR-S01406-01	Sildenafil Citrate Impurity
AR-S11215-01	Sildenafil citrate impurity
AR-P01444-01	Pentoxyverine Impurity B Citrate (Caramiphen Citrate)
AR-H01228-01	Hydroxyzine Citrate Impurity 1
AR-T05613-01	Toremifene Impurity 3 Citrate
AR-T02428-01	Tofacitinib Impurity C Citrate
AR-H01229-01	Hydroxyzine Citrate Impurity 2
AR-C08064-01	Clomiphene Impurity 3 Citrate
AR-C07774-01	Tributyl Citrate Impurity 2
AR-C07773-01	Tributyl Citrate Impurity 1

Catalog	Name
BUP17184-01	Acetyltributyl citrate
sc-488261	Hyroxyzine citrate impurity A
T528045	Tofacitinib Citrate Impurity
CS-O-39193	Sufentanil Citrate - Impurity I
CS-O-39192	Sufentanil Citrate - Impurity H
CS-O-39190	Sufentanil Citrate - Impurity B
RM-T130614-01	Tamoxifen Citrate Impurity 14
RM-T130618-01	Tamoxifen Citrate Impurity 18
TRC-H996515-100MG	Hyroxyzine Citrate Impurity B
CS-O-39189	Sufentanil citrate impurity F