4-Isobutylpiperazin-1-amine - CAS 70167-75-8

Catalog:	BB063876
Product Name:	4-Isobutylpiperazin-1-amine
CAS:	70167-75-8
Synonyms:	4-(2-METHYLPROPYL)PIPERAZIN-1-AMINE; 4-Isobutylpiperazin-1-ylamine

Technical Data

IUPAC Name:	4-(2-methylpropyl)piperazin-1-amine
Description:	4-Isobutylpiperazin-1-amine is an intermediate for the synthesis of Rifamdin (R507900), which is a Rifamicyn derivative with therapeutic effect on pulmonary tuberculosis.
Molecular Weight:	157.26
Molecular Formula:	C8H19N3
Canonical SMILES:	CC(C)CN1CCN(CC1)N
InChI:	InChI=1S/C8H19N3/c1-8(2)7-10-3-5-11(9)6-4-10/h8H,3-7,9H2,1-2H3
InChI Key:	IZHHCMVIHREVNP-UHFFFAOYSA-N
Solubility:	Chloroform; Dichloromethane; Ethyl Acetate; Methanol
Storage:	-20°C Freezer, Under Inert Atmosphere
References:	Gozalbes, R., et al. J. Pharm. Pharmacol., 51, 111 (1999), Estrada, E., et al. J. Med. Chem., 43, 1975 (2000), Gonzalez-Diaz, H., et al. Chem. Res. Toxicol., 16, 1318 (2003), Garcia-Garcia, A., et al. J. Antimicrob. Chemother., 53, 65 (2004),.

Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.157897619
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.157897619
Rotatable Bond Count:	2
Topological Polar Surface Area:	32.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7