2-Nitro-1-propanol - CAS 2902-96-7

Name: 2-Nitro-1-propanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020052
Product Name:	2-Nitro-1-propanol
CAS:	2902-96-7
Synonyms:	2-nitropropan-1-ol

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Computed Properties

IUPAC Name:	2-nitropropan-1-ol
Description:	2-Nitro-1-propanol (CAS# 2902-96-7) is a useful research chemical.
Molecular Weight:	105.09
Molecular Formula:	C3H7NO3
Canonical SMILES:	CC(CO)[N+](=O)[O-]
InChI:	InChI=1S/C3H7NO3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3
InChI Key:	PCNWBUOSTLGPMI-UHFFFAOYSA-N
Boiling Point:	99 °C (10 torr)
Purity:	≥ 97 %
Density:	1.185 g/mL at 25 °C (lit.)
Appearance:	Clear yellow liquid
Storage:	2-8 °C
MDL:	MFCD00007398
LogP:	0.16710

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Related Functional Groups

Oxygen Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1263034-11-2]C38H53N3O2
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[202288-73-1]C12H14Cl2N2O
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

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PMID	Publication Date	Title	Journal
22406005	20120501	Using the Griess colorimetric nitrite assay for measuring aliphatic β-nitroalcohols	Experimental eye research
22129139	20120111	Combination effects of nitrocompounds, pyromellitic diimide, and 2-bromoethanesulfonate on in vitro ruminal methane production and fermentation of a grain-rich feed	Journal of agricultural and food chemistry
22428888	20120101	Comparison of nitroethane, 2-nitro-1-propanol, lauric acid, Lauricidin® and the Hawaiian marine algae, Chaetoceros, for potential broad-spectrum control of anaerobically grown lactic acid bacteria	Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes
20141946	20100401	Antibacterial activity of carvacrol and 2-nitro-1-propanol against single and mixed populations of foodborne pathogenic bacteria in corn flour dough	Food microbiology
19797229	20100201	Aliphatic beta-nitroalcohols for therapeutic corneoscleral cross-linking: chemical mechanisms and higher order nitroalcohols	Investigative ophthalmology & visual science

Complexity:	67.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	105.042593085
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	105.042593085
Rotatable Bond Count:	1
Topological Polar Surface Area:	66
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3