(2-Methylbutyl)amine - CAS 96-15-1

Catalog:	BB041952
Product Name:	(2-Methylbutyl)amine
CAS:	96-15-1
Synonyms:	2-methylbutan-1-amine

Technical Data

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Computed Properties

IUPAC Name:	2-methylbutan-1-amine
Description:	(2-Methylbutyl)amine (CAS# 96-15-1) is a useful research chemical.
Molecular Weight:	87.16
Molecular Formula:	C5H13N
Canonical SMILES:	CCC(C)CN
InChI:	InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3
InChI Key:	VJROPLWGFCORRM-UHFFFAOYSA-N
Boiling Point:	92.1 °C at 760 mmHg
Density:	0.738 g/mL at 25°C(lit.)
Appearance:	Liquid
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD00008147
LogP:	1.69150

Publication Number	Title	Priority Date
CN-112939871-A	Nanometer thermometer based on saturated fatty acid and double-response fluorescent molecule	20210127
JP-6910685-B1	Treatment agent for synthetic fibers and synthetic fibers	20210122
JP-6883901-B1	Treatment agent for synthetic fibers and synthetic fibers	20201216
JP-6906822-B1	Method for manufacturing short fiber treatment agents, synthetic fibers, and non-woven fabrics	20201030
JP-6830710-B1	Polyolefin-based synthetic fiber treatment agent, polyolefin-based synthetic fiber, and thermal bond non-woven fabric	20200909

PMID	Publication Date	Title	Journal
21732693	20110824	Gas chromatography-mass spectrometry assessment of amines in Port wine and grape juice after fast chloroformate extraction/derivatization	Journal of agricultural and food chemistry
20028027	20100326	Nakijiquinones J--R, sesquiterpenoid quinones with an amine residue from okinawan marine sponges	Journal of natural products
19378397	20090601	Interaction of antitumor platinum complexes with human liver microsomal cytochromes P450	Anti-cancer drugs
17105297	20061122	Chiral recognition in cucurbituril cavities	Journal of the American Chemical Society
15634027	20050113	Inhibition of nucleoside transport proteins by C8-alkylamine-substituted purines	Journal of medicinal chemistry

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	27.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	87.104799419
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	87.104799419
Rotatable Bond Count:	2
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1