1H-Indole-3-butanoicacid, potassium salt (1:1) supplier

Name
INDOLE-3-BUTYRIC ACID POTASSIUM SALT
EINECS 691-783-3
CAS No. 60096-23-3
Density
Solubility
Melting Point
Formula C₁₂H₁₃NO₂. K
Boiling Point 426.6 ºC at 760 mmHg
Molecular Weight 241.33
Flash Point 211.8 ºC
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Indole-3-butanoicacid, monopotassium salt (9CI);3-Indolebutyric acid potassium salt;IBA Ksalt;IBA potassium salt;
PSA 55.92000
LogP 1.24050

1H-Indole-3-butanoicacid, potassium salt (1:1) Specification

The 1H-Indole-3-butanoicacid, potassium salt (1:1), with the CAS registry number 60096-23-3, has the IUPAC name of potassium 4-(1H-indol-3-yl)butanoate. Its product categories are including Indoles and derivatives. When you are using this chemical, you should avoid contacting with skin and eyes and do remember not breathe dust.

The physical properties of this chemical are as follows: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 42.23; (7)Flash Point: 211.8 °C; (8)Enthalpy of Vaporization: 71.83 kJ/mol; (9)Boiling Point: 426.6 °C at 760 mmHg; (10)Vapour Pressure: 4.9E-08 mmHg at 25°C; (11)Exact Mass: 241.050511; (12)MonoIsotopic Mass: 241.050511; (13)Topological Polar Surface Area: 55.9; (14)Heavy Atom Count: 16; (15)Complexity: 235.

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)[O-].[K+]
(2)InChI: InChI=1S/C12H13NO2.K/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);/q;+1/p-1
(3)InChIKey: KTWDHJYSJOSTSJ-UHFFFAOYSA-M

Product Name

INDOLE-3-BUTYRIC ACID POTASSIUM SALT

1H-Indole-3-butanoicacid, potassium salt (1:1) Specification

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