1-(Thien-2-ylmethyl)piperazine - CAS 39244-79-6

Name: 1-(Thien-2-ylmethyl)piperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB050592
Product Name:	1-(Thien-2-ylmethyl)piperazine
CAS:	39244-79-6
Synonyms:	1-Thiophen-2-ylmethyl-piperazine; 1-(2-Thienylmethyl)piperazine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-(thiophen-2-ylmethyl)piperazine
Description:	1-(Thien-2-ylmethyl)piperazine (CAS# 39244-79-6 ) is a useful research chemical.
Molecular Weight:	182.29
Molecular Formula:	C9H14N2S
Canonical SMILES:	C1CN(CCN1)CC2=CC=CS2
InChI:	InChI=1S/C9H14N2S/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h1-2,7,10H,3-6,8H2
InChI Key:	XTAPGYLDPZMKRN-UHFFFAOYSA-N
Boiling Point:	274.5±25.0 °C at 760 mmHg
Purity:	95 %
Density:	1.1±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Piperazines

[25629-32-7]C6H10N2O3
(3-Oxopiperazin-1-yl)acetic acid
[1197237-96-9]C10H26Cl3N3
3-(4-Propylpiperazin-1-yl)propan-1-amine trihydrochloride
[1217482-26-2]C5H14Cl2N2O
(R)-piperazin-2-ylmethanol dihydrochloride
[55513-17-2]C11H14Cl2N2
1-(3,4-Dichlorobenzyl)piperazine
[2171065-77-1]C24H26ClFN4O4S2
N1-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)phenyl)-N4,N4-dimethylbenzene-1,4-disulfonamide
[243128-46-3]C10H12FN3O2
1-(4-Fluoro-2-nitrophenyl)piperazine

Thiophenes

[38401-73-9]C11H7NO3S
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[74556-81-3]C12H9ClO3S
5-[(3-Chlorophenoxy)methyl]thiophene-2-carboxylic acid
[937599-90-1]C12H12N2O2S2
Ethyl 2-((4-(thiophen-2-yl)pyrimidin-2-yl)thio)acetate
[306934-99-6]C13H12BrNO2S
Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
[315683-17-1]C16H19NO2S
Ethyl 2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylate
[40106-16-9]C13H19NO2S
Ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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:	182.08776963
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.08776963
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8