1-Boc-4-(4-formylphenyl)piperazine - CAS 197638-83-8

Name: 1-Boc-4-(4-formylphenyl)piperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015275
Product Name:	1-Boc-4-(4-formylphenyl)piperazine
CAS:	197638-83-8
Synonyms:	tert-butyl 4-(4-formylphenyl)piperazine-1-carboxylate

Technical Data

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Patents

Computed Properties

IUPAC Name:	tert-butyl 4-(4-formylphenyl)piperazine-1-carboxylate
Description:	1-Boc-4-(4-formylphenyl)piperazine (CAS# 197638-83-8) is a useful research chemical.
Molecular Weight:	290.36
Molecular Formula:	C16H22N2O3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C=O
InChI:	InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-6-4-13(12-19)5-7-14/h4-7,12H,8-11H2,1-3H3
InChI Key:	KHORERZDMJTBMR-UHFFFAOYSA-N
Boiling Point:	441.4 °C at 760 mmHg
Density:	1.154 g/cm³
Appearance:	White to tan powder or crystals
MDL:	MFCD05864663
LogP:	2.55910

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Related Functional Groups

Carbonyl Compounds

[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide
[4313-03-5]C7H10O
2,4-Heptadienal

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P310, P302+P352, P321, P330, P333+P313, P363, P405, and P501
Signal Word:	Danger

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WO-2021086785-A1	Bifunctional compounds	20191028
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Complexity:	362
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	290.16304257
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	290.16304257
Rotatable Bond Count:	4
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2