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Revision as of 13:48, 6 December 2011 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 443046278 of page Sec-Butyl_acetate for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit		Revision as of 13:48, 6 December 2011 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 444099818 of page Sec-Butylamine for the Chem/Drugbox validation project (updated: '').Next edit →
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	{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{chembox		{{chembox
	\| verifiedrevid = ~~416077491~~		\| verifiedrevid = 444097918
	\| Name = ''sec''-~~Butyl acetate~~		\| Name = ''sec''-Butylamine
		⚫	\| ImageFile = Sec-butylamine.svg
	\| ImageFile_Ref = {{chemboximage\|correct\|??}}
		⚫	\| ImageSize = 120px
⚫	\| ImageFile = S-~~butyl acetate~~.~~png~~
		⚫	\| ImageName = ''sec''-butylamine
⚫	~~<!--~~ \| ImageSize = ~~150px -->~~
			\| IUPACName = butan-2-amine
⚫	\| ImageName = ~~Sec~~-~~butyl acetate~~
			\| OtherNames = 2-Butanamine<br />s-Butylamine<br />2-Aminobutane<br />2-AB<br />DL-sec-Butylamine<br />(+-)-sec-Butylamine<br />Mono-sec-butylamine<ref></ref><br />deccotane<br />frucote<br />1-methylpropylamine<br />tutane<br />butafume<ref></ref>
	\| OtherNames = acetic acid, ''sec''-butyl ester;<br />''s''-butyl acetate; 2-butyl acetate
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
			\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| SMILES = O=C(OC(C)CC)C
			\| UNII = QAZ452YGSG
⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	\| ~~ChemSpiderID~~ = ~~7472~~		\| SMILES = NC(C)CC
		⚫	\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
⚫	\| PubChem = ~~7758~~
			\| ChemSpiderID = 23255
⚫	\| InChI = 1/~~C6H12O2~~/c1-4-5(2)~~8-6(~~3~~)7/h5H~~,~~4H2~~,1-~~3H3~~
		⚫	\| PubChem = 24874
	\| InChIKey = DCKVNWZUADLDEH-UHFFFAOYAV
		⚫	\| InChI = 1/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3
			\| InChIKey = BHRZNVHARXXAHW-UHFFFAOYAA
	\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChI = 1S/~~C6H12O2~~/c1-4-5(2)~~8-6(~~3~~)7/h5H~~,~~4H2~~,1-~~3H3~~		\| StdInChI = 1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3
	\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}		\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = ~~DCKVNWZUADLDEH~~-UHFFFAOYSA-N		\| StdInChIKey = BHRZNVHARXXAHW-UHFFFAOYSA-N
			\| CASNo_Ref = {{cascite\|correct\|CAS}}
	\| CASNo = <!-- blanked - oldvalue: 105-46-4 -->
			\| CASNo = 13952-84-6
⚫	}}
			\| RTECS =
			\| UNNumber =<!-- UN 1125 -->
			\| KEGG_Ref = {{keggcite\|correct\|kegg}}
			\| KEGG = C18706
		⚫	}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
	\| Formula = C<sub>6</sub>H<sub>~~12</sub>O<sub>2~~</sub>		\| Formula = C<sub>4</sub>H<sub>11</sub>N
	\| MolarMass = ~~116~~.16 g/mol		\| MolarMass = 73.14 g/mol
	\| Appearance = ~~clear,~~ liquid		\| Appearance = colorless liquid with amine odor
	\| Density = 0.87 g/cm<sup>3</sup>, liquid		\| Density = 0.724 g/cm<sup>3</sup>, liquid
	\| Solubility = ~~0.80 g/100~~ mL		\| Solubility = highly soluble
	\| MeltingPtC = ~~−99~~		\| MeltingPtC = -72
	\| BoilingPtC = ~~112~~		\| BoilingPtC = 63
			\| Refractive Index = 1.3932
	\| Viscosity =
			\| pKa = 10.56<ref>Hall, H.K., ''J. Am. Chem. Soc.'', '''1957''', ''79'', 5441.</ref>
⚫	}}
			\| Viscosity =<!-- 0.5 ] at 20 °C -->
⚫	\| ~~Section3~~ = {{Chembox ~~Structure~~
		⚫	}}
	\| MolShape =
	\| Dipole =
⚫	}}
	\| Section7 = {{Chembox Hazards		\| Section7 = {{Chembox Hazards
			\| ExternalMSDS =<!-- -->
	\| ExternalMSDS = ]
	\| MainHazards = Flammable		\| MainHazards = Corrosive, Highly Flammable
			\| NFPA-H = 3
⚫	}}
			\| NFPA-R = 0
			\| NFPA-F = 3
			\| FlashPt = -19 °C
			\| RSPhrases =<!-- ]: {{R11}} {{R35}} {{R20}} {{R21}} {{R22}}<br /> ]: {{S3}} {{S16}} {{S26}} {{S29}} {{S45}} {{S36}} {{S37}} {{S39}} -->
		⚫	}}
		⚫	\| Section8 = {{Chembox Related
			\| OtherCpds = ]<br />]<br />]<br />]<br />]
		⚫	}}
	}}		}}

Revision as of 13:48, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 444099818 of page Sec-Butylamine with values updated to verified values.

*sec*-Butylamine
Names

IUPAC name butan-2-amine
Other names 2-Butanamine s-Butylamine 2-Aminobutane 2-AB DL-sec-Butylamine (+-)-sec-Butylamine Mono-sec-butylamine deccotane frucote 1-methylpropylamine tutane butafume
Identifiers
CAS Number	13952-84-6
3D model (JSmol)	Interactive image
ChemSpider	23255
KEGG	C18706
PubChem CID	24874
UNII	QAZ452YGSG
InChI InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3Key: BHRZNVHARXXAHW-UHFFFAOYSA-N InChI=1/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3Key: BHRZNVHARXXAHW-UHFFFAOYAA
SMILES NC(C)CC
Properties
Chemical formula	C₄H₁₁N
Molar mass	73.14 g/mol
Appearance	colorless liquid with amine odor
Density	0.724 g/cm, liquid
Melting point	−72 °C (−98 °F; 201 K)
Boiling point	63 °C (145 °F; 336 K)
Solubility in water	highly soluble
Acidity (pK_a)	10.56
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Corrosive, Highly Flammable
NFPA 704 (fire diamond)	3 3 0
Flash point	-19 °C
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Tracking categories (test):

SizeSet

Chemical compound

US EPA. "sec-Butylamine." Substance Registry System (website accessed 16 April 2007).
Safety data (MSDS) for sec-butylamine. Oxford University website (accessed 16 April 2007).
Hall, H.K., J. Am. Chem. Soc., 1957, 79, 5441.