Methyl 3-amino-4,4,4-trifluorobutyrate - CAS 748746-28-3

Name: Methyl 3-amino-4,4,4-trifluorobutyrate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035175
Product Name:	Methyl 3-amino-4,4,4-trifluorobutyrate
CAS:	748746-28-3
Synonyms:	methyl 3-amino-4,4,4-trifluorobutanoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-amino-4,4,4-trifluorobutanoate
Description:	Methyl 3-amino-4,4,4-trifluorobutyrate (CAS# 748746-28-3) is a useful research chemical.
Molecular Weight:	171.12
Molecular Formula:	C5H8F3NO2
Canonical SMILES:	COC(=O)CC(C(F)(F)F)N
InChI:	InChI=1S/C5H8F3NO2/c1-11-4(10)2-3(9)5(6,7)8/h3H,2,9H2,1H3
InChI Key:	YOBIFUUUJYCCFN-UHFFFAOYSA-N
Boiling Point:	164.2 °C at 760 mmHg
Density:	1.293 g/cm³
Appearance:	Colorless to tan liquid
LogP:	1.13940

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2014128425-A1	Carboxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use	20121105
US-8796305-B2	Carboxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use	20121105
WO-2014068095-A1	Carboxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use as soluble guanylate cyclase stimulants	20121105
US-5563158-A	Aromatic compounds containing basic and acidic termini useful as fibrinogen receptor antagonists	19931228
US-5691329-A	Compounds containing basic and acidic termini useful as fibrinogen receptor antagonists	19931228

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.05071298
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.05071298
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3