1-nitrosopiperazine - CAS 5632-47-3

Catalog:	BB053854
Product Name:	1-nitrosopiperazine
CAS:	5632-47-3
Synonyms:	1-Nitrosopiperazine; N-Mononitrosopiperazine; NSC 50269; NSC 525340;
Application:	A carcinogenic nitrosocompound.

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-nitrosopiperazine
Molecular Weight:	115.13
Molecular Formula:	C4H9N3O
Canonical SMILES:	C1CN(CCN1)N=O
InChI:	InChI=1S/C4H9N3O/c8-6-7-3-1-5-2-4-7/h5H,1-4H2
InChI Key:	CVTIZMOISGMZRJ-UHFFFAOYSA-N
Boiling Point:	264.5±33.0 °C at 760 mmHg
Purity:	98%
Density:	1.3±0.1 g/cm3
Appearance:	Yellow Oil to Semi-Solid
Vapor Pressure:	0.01 [mmHg]

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Piperazines

[55276-43-2]
1-Methanesulfonylpiperazine
[2171065-77-1]
N1-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)phenyl)-N4,N4-dimethylbenzene-1,4-disulfonamide
[27106-51-0]
1-(Toluene-4-sulfonyl)piperazine
[27469-60-9]
1-Bis(4-fluorophenyl)methyl piperazine
[402832-69-3]
(2S,6S)-2,6-Dimethylpiperazine
[682802-92-2]
1-(1,3-Dioxolan-2-ylmethyl)piperazine

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H317 (95%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H334 (95%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]; H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]; H361 (95%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement:	P203, P260, P261, P264, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P333+P313, P342+P316, P362+P364, P363, P405, and P501
Signal Word:	Danger

Complexity:	79.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	115.074561919
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	115.074561919
Rotatable Bond Count:	0
Topological Polar Surface Area:	44.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2