1-(2-Bromoethyl)-4-Boc-piperazine - CAS 655225-01-7

Catalog:	BB032753
Product Name:	1-(2-Bromoethyl)-4-Boc-piperazine
CAS:	655225-01-7
Synonyms:	4-(2-bromoethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-(2-bromoethyl)piperazine-1-carboxylate
Description:	1-(2-Bromoethyl)-4-Boc-piperazine (CAS# 655225-01-7) is a useful research chemical.
Molecular Weight:	293.20
Molecular Formula:	C11H21BrN2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)CCBr
InChI:	InChI=1S/C11H21BrN2O2/c1-11(2,3)16-10(15)14-8-6-13(5-4-12)7-9-14/h4-9H2,1-3H3
InChI Key:	IWSFZKCIZFXAFT-UHFFFAOYSA-N
Boiling Point:	331.5 °C at 760 mmHg
Density:	1.294 g/cm³
LogP:	1.80980

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	292.07864
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	292.07864
Rotatable Bond Count:	4
Topological Polar Surface Area:	32.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7