Tricyclohexylguanidine - CAS 4833-41-4

Catalog:	BB057301
Product Name:	Tricyclohexylguanidine
CAS:	4833-41-4
Synonyms:	N,N',N''-Tricyclohexylguanidine; 1,2,3-Tricyclohexylguanidine; NSC 244828

Technical Data

IUPAC Name:	1,2,3-tricyclohexylguanidine
Description:	Tricyclohexylguanidine is used as a catalyst in various syntheses such as transesterification of soybean oil. Also used as a catalysts in the aldol addition and condensation of acetone to benzaldehyde.
Molecular Weight:	305.5
Molecular Formula:	C19H35N3
Canonical SMILES:	C1CCC(CC1)NC(=NC2CCCCC2)NC3CCCCC3
InChI:	InChI=1S/C19H35N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h16-18H,1-15H2,(H2,20,21,22)
InChI Key:	FTWMCSGJSZWKCR-UHFFFAOYSA-N
References:	Sercheli, R., et al. J. Am. Oil Chem. Soc., 76, 1207 (1999); Sercheli, R., et al. J. Mol. Catal. A: Chem., 148, 173 (1999).

Complexity:	313
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	305.283098129
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	305.283098129
Rotatable Bond Count:	5
Topological Polar Surface Area:	36.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.9