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Tert-butylcarbamidine hydrochloride

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Name

Tert-butylcarbamidine hydrochloride

EINECS 242-091-1
CAS No. 18202-73-8 Density 0.92 g/cm3
PSA 49.87000 LogP 2.57050
Solubility N/A Melting Point 190 °C
Formula C5H13ClN2 Boiling Point 126.9 °C at 760 mmHg
Molecular Weight 136.625 Flash Point 30.6 °C
Transport Information N/A Appearance white
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 18202-73-8 (TERT-BUTYLCARBAMIDINE HYDROCHLORIDE) Hazard Symbols IrritantXi
Synonyms

Pivalamidine,hydrochloride (7CI);Pivalamidine, monohydrochloride (8CI);Propanimidamide,2,2-dimethyl-, monohydrochloride (9CI);2,2-Dimethylpropionamidinehydrochloride;2,2-Dimethylpropionimidamide hydrochloride;tert-Butanecarboximidamide hydrochloride;tert-Butylamidinium chloride;tert-Butylcarbamidine hydrochloride;

Article Data 7

Tert-butylcarbamidine hydrochloride Specification

The Propanimidamide,2,2-dimethyl-, hydrochloride (1:1), with the CAS registry number 18202-73-8, is also known as Pivalamidine hydrochloride. It belongs to the product categories of Pharmacetical; Aliphatics. Its EINECS registry number is 242-091-1. This chemical's molecular formula is C5H13ClN2 and molecular weight is 136.62312. Its IUPAC name is called 2,2-dimethylpropanimidamide hydrochloride.

Physical properties of Propanimidamide,2,2-dimethyl-, hydrochloride (1:1): (1)ACD/LogP: -0.07; (2)ACD/LogD (pH 5.5): -2.07; (3)ACD/LogD (pH 7.4): -2.07; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Flash Point: 30.6 °C; (12)Enthalpy of Vaporization: 36.47 kJ/mol; (13)Boiling Point: 126.9 °C at 760 mmHg; (14)Vapour Pressure: 11.4 mmHg at 25°C.

Uses of Propanimidamide,2,2-dimethyl-, hydrochloride (1:1): it can be used to produce 2,5-di-tert-butyl-pyrimidine-4,6-diol. This reaction will need reagent sodium ethoxide and solvent ethanol with reaction time of 10 hours. The yield is about 80%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)C(=N)N.Cl
(2)InChI: InChI=1S/C5H12N2.ClH/c1-5(2,3)4(6)7;/h1-3H3,(H3,6,7);1H
(3)InChIKey: ARDGQYVTLGUJII-UHFFFAOYSA-N

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