1-Formylpiperazine - CAS 7755-92-2

Catalog:	BB035991
Product Name:	1-Formylpiperazine
CAS:	7755-92-2
Synonyms:	piperazine-1-carbaldehyde

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Computed Properties

IUPAC Name:	piperazine-1-carbaldehyde
Description:	1-Formylpiperazine (CAS# 7755-92-2) is a useful research chemical.
Molecular Weight:	114.15
Molecular Formula:	C5H10N2O
Canonical SMILES:	C1CN(CCN1)C=O
InChI:	InChI=1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2
InChI Key:	MSSDTZLYNMFTKN-UHFFFAOYSA-N
Boiling Point:	105-107 ℃ (1 mmHg)
Melting Point:	88-91 ℃
Purity:	95 %
Density:	1.107 g/cm³
Appearance:	Clear colorless to faintly yellow liquid
Storage:	2-8 ℃
MDL:	MFCD00005963
LogP:	-0.04940

Publication Number	Title	Priority Date
WO-2015193167-A1	Pyrazolo-pyridine derivatives as kinase inhibitors	20140617
WO-2015193168-A1	Fused bicyclic heteroaromatic derivatives as kinase inhibitors	20140617
WO-2015193169-A1	Fused bicyclic heteroaromatic derivatives as kinase inhibitors	20140617
WO-2015181559-A1	Pyrrolobenzodiazepine compounds for treating lymphoma	20140530
EP-2944310-A1	MIF inhibitors for the acute or chronic treatment of pulmonary hypertension	20140516

PMID	Publication Date	Title	Journal
12054968	20020614	Kinetic and mechanistic investigation of the aminolysis of 3-methoxyphenyl 3-nitrophenyl thionocarbonate, 3-chlorophenyl 3-nitrophenyl thionocarbonate, and bis(3-nitrophenyl) thionocarbonate	The Journal of organic chemistry
11529741	20010907	Kinetics and mechanisms of the reactions of 3-methoxyphenyl, 3-chlorophenyl, and 4-cyanophenyl 4-nitrophenyl thionocarbonates with alicyclic amines	The Journal of organic chemistry

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GHS Hazard Statement:	H302 (88.64%): 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, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	78.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.079312947
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	114.079312947
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9