CAS No.29166-72-1,2-TERT-BUTYL-1,1,3,3-TETRAMETHYLGUANIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	29166-72-1
Name:	2-TERT-BUTYL-1,1,3,3-TETRAMETHYLGUANIDINE
Article Data:	6

Formula:	C₉H₂₁N₃
Molecular Weight:	171.286
Synonyms:	Guanidine,2-tert-butyl-1,1,3,3-tetramethyl- (8CI);N-tert-Butyl-N',N',N'',N''-tetramethylguanidine;Barton base;Tetramethyl-2-tert-butylguanidine;
Density:	0.84 g/cm³
Boiling Point:	255 °C at 760 mmHg
Flash Point:	108 °C
Hazard Symbols:	C
Risk Codes:	22-34
Safety:	26-36/37/39-45
Transport Information:	UN 3267 8/PG 2
PSA:	18.84000
LogP:	1.26410

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Specification

The 2-tert-Butyl-1,1,3,3-tetramethylguanidine with CAS registry number of 29166-72-1 is also known as Guanidine,N''-(1,1-dimethylethyl)-N,N,N',N'-tetramethyl-. The IUPAC name and product name are the same. It belongs to product categories of Guanidines; Nitrogen Compounds; Organic Building Blocks. In addition, the formula is C₉H₂₁N₃ and the molecular weight is 171.28. This chemical may destroy living tissue on contact and should be sealed in cool, dry place.

Physical properties about 2-tert-Butyl-1,1,3,3-tetramethylguanidine are: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.16; (4)ACD/LogD (pH 7.4): -1.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.446; (12)Molar Refractivity: 54.22 cm³; (13)Molar Volume: 202.9 cm³; (14)Surface Tension: 24.6 dyne/cm; (15)Density: 0.84 g/cm³; (16)Flash Point: 108 °C; (17)Enthalpy of Vaporization: 49.25 kJ/mol; (18)Boiling Point: 255 °C at 760 mmHg; (19)Vapour Pressure: 0.0167 mmHg at 25 °C.

Uses of 2-tert-Butyl-1,1,3,3-tetramethylguanidine: it is used to produce 4-oxazol-5-yl-pyridine by reaction with pyridine-4-carbaldehyde. The reaction occurs with reagent ROMPgel Tosmic and solvent acetonitrile at the temperature of 70 °C for 12 hours. The yield is about 82%.

2-tert-Butyl-1,1,3,3-tetramethylguanidine is used to produce 4-oxazol-5-yl-pyridine by reaction with pyridine-4-carbaldehyde.

When you are using this chemical, please be cautious about it. As a chemical, it is harmful if swallowed and causes burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C)(C)N=C(N(C)C)N(C)C
2. InChI: InChI=1S/C9H21N3/c1-9(2,3)10-8(11(4)5)12(6)7/h1-7H3
3. InChIKey: YQHJFPFNGVDEDT-UHFFFAOYSA-N