1-(Cyclohexylmethyl)piperazine - CAS 57184-23-3

Catalog:	BB029600
Product Name:	1-(Cyclohexylmethyl)piperazine
CAS:	57184-23-3
Synonyms:	1-(cyclohexylmethyl)piperazine; 1-(cyclohexylmethyl)piperazine

Technical Data

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Computed Properties

IUPAC Name:	1-(cyclohexylmethyl)piperazine
Description:	1-(Cyclohexylmethyl)piperazine (CAS# 57184-23-3) is a useful research chemical.
Molecular Weight:	182.31
Molecular Formula:	C11H22N2
Canonical SMILES:	C1CCC(CC1)CN2CCNCC2
InChI:	InChI=1S/C11H22N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h11-12H,1-10H2
InChI Key:	LRPGNFROBDUREU-UHFFFAOYSA-N
Boiling Point:	98 °C (1 torr)
Density:	0.938 g/mL at 25°C(lit.)
Appearance:	Colorless liquid
MDL:	MFCD01075237
LogP:	1.73860

Publication Number	Title	Priority Date
CN-111269197-A	Benzothiazinone compound, preparation method thereof and application of compound as antituberculosis drug	20200408
CN-112409293-A	Benzothiazinone compound, preparation method thereof and application of compound as antituberculosis drug	20200408
CN-111303075-A	Benzothiazinone derivative, preparation method thereof and application of benzothiazinone derivative as antituberculosis drug	20200408
CN-112409294-A	Benzothiazinone derivative, preparation method thereof and application of benzothiazinone derivative as antituberculosis drug	20200408
WO-2021203811-A1	Benzothiazinone compound, preparation method therefor and application thereof as anti-tuberculosis drug	20200408

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.178298710
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.178298710
Rotatable Bond Count:	2
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2