1-(9-Anthracenylmethyl)piperazine - CAS 126257-22-5

Catalog:	BB074338
Product Name:	1-(9-Anthracenylmethyl)piperazine
CAS:	126257-22-5
Synonyms:	Piperazine, 1-(9-anthracenylmethyl)-; 1-(anthracen-9-ylmethyl)piperazine; 1-(9-anthracenylmethyl)piperazine; 1-(9-Anthrylmethyl)piperazine

Technical Data

IUPAC Name:	1-(anthracen-9-ylmethyl)piperazine
Description:	1-(9-Anthracenylmethyl)piperazine was an analytical derivatization reagent for sampling and HPLC analysis of total isocyanate group in air.
Molecular Weight:	276.38
Molecular Formula:	C19H20N2
Canonical SMILES:	C1CN(CCN1)CC2=C3C=CC=CC3=CC4=CC=CC=C42
InChI:	InChI=1S/C19H20N2/c1-3-7-17-15(5-1)13-16-6-2-4-8-18(16)19(17)14-21-11-9-20-10-12-21/h1-8,13,20H,9-12,14H2
InChI Key:	XOMAHPANTKOFLM-UHFFFAOYSA-N
References:	Streicher, R., et al. Am. Ind. Hyg. Assoc. J., 57, 905 (1996); Tremblay, P., et al. Analyst, 128, 142 (2003).

Complexity:	315
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	276.162648646
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	276.162648646
Rotatable Bond Count:	2
Topological Polar Surface Area:	15.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6