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Methyl 3,3,3-trifluoroalaninate

Methyl 3,3,3-trifluoroalaninate structure

CAS No:
27240-44-4
Formula:
C4H6F3NO2
Chemical Name:
Methyl 3,3,3-trifluoroalaninate
Synonyms:
METHYL 3,3,3-TRIFLUOROALANINATE;3,3,3-Trifluoro-DL-alanine methyl ester hydrochloride;Dl-3,3,3-Trifluoroalanine,MethylEster,HclSalt;Methyl2-amino-3,3,3-trifluoropropanoatehydrochloride;dl-3,3,3-TrifluoroAlanineMethylesterHydrochloride;Methyl 3,3,3-trifluoroalaninate hydrochloride;methyl 2-amino-3,3,3-trifluoropropanoate;Methyl (2R)-2-aMino-3,3,3-trifluoropropanoate
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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Methyl 3,3,3-trifluoroalaninate Basic Attributes

Molecular Weight：

157.09

Exact Mass：

157.035065

DSSTox ID：

DTXSID30564443

HScode：

2922499990

Characteristics

PSA：

52.32000

XLogP3：

0.80

Density：

1.3±0.1 g/cm3

Melting Point：

168-170°C

Boiling Point：

147.5±35.0 °C at 760 mmHg

Flash Point：

43.0±25.9 °C

Refractive Index：

1.362

Vapor Pressure：

0.393mmHg at 25°C

Safety Information

hazard class code：

safety instructions：

22-24/25-26

Marks：

T,Xi

Hazard note：

Toxic

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:157.09
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:157.03506292
Monoisotopic Mass:157.03506292
Topological Polar Surface Area:52.3
Heavy Atom Count:10
Complexity:133
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methyl 3,3,3-trifluoroalaninate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Methyl 3,3,3-trifluoroalaninate

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