2-tert-Butyl-1,1,3,3-tetramethylguanidine - CAS 29166-72-1

Catalog:	BB020113
Product Name:	2-tert-Butyl-1,1,3,3-tetramethylguanidine
CAS:	29166-72-1
Synonyms:	2-tert-butyl-1,1,3,3-tetramethylguanidine

Technical Data

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Computed Properties

IUPAC Name:	2-tert-butyl-1,1,3,3-tetramethylguanidine
Description:	2-tert-Butyl-1,1,3,3-tetramethylguanidine (CAS# 29166-72-1) is an excellent alternative to traditional inorganic bases for promoting the coupling reaction.
Molecular Weight:	171.28
Molecular Formula:	C9H21N3
Canonical SMILES:	CC(C)(C)N=C(N(C)C)N(C)C
InChI:	InChI=1S/C9H21N3/c1-9(2,3)10-8(11(4)5)12(6)7/h1-7H3
InChI Key:	YQHJFPFNGVDEDT-UHFFFAOYSA-N
Boiling Point:	88-89 ℃43 mmHg (lit.)
Purity:	98 %
Density:	0.84 g/cm³
MDL:	MFCD01862972
LogP:	1.26410

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PMID	Publication Date	Title	Journal
12659597	20030403	Synthesis of highly oxygenated dinaphthyl ethers via SNAr reactions promoted by Barton's base	Organic letters

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

GHS Hazard Statement:	H227 (25%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.173547683
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.173547683
Rotatable Bond Count:	3
Topological Polar Surface Area:	18.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8