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3-AMINO-4,4,4-TRIFLUOROBUTYRICACID

3-AMINO-4,4,4-TRIFLUOROBUTYRICACID structure

CAS No:
584-20-3
Formula:
C4H6F3NO2
Chemical Name:
3-AMINO-4,4,4-TRIFLUOROBUTYRICACID
Synonyms:
4,4,4-trifluoro-β-homoalanine;3-Trifluoromethyl-beta-alanine;4,4,4-TRIFLUORO-BETA-HOMOALANINE;3-AMINO-4,4,4-TRIFLUOROBUTYRICACID;3-AMINO-4,4,4-TRIFLUOROBUTANOICACID;3-Amino-4,4,4-trifluorobutyricacid97%;3-Amino-4,4,4-trifluorobutyricacid97%;3-Amino-4,4,4-trifluorobutanoicacid97%
Categories:
Organic Chemistry > Coordination Complexes

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Description

white to off-white crystalline powder

3-AMINO-4,4,4-TRIFLUOROBUTYRICACID Basic Attributes

Molecular Weight：

157.09

Exact Mass：

157.03500

BRN：

1764276

NSC Number：

381464

HScode：

2922499990

Characteristics

PSA：

63.32000

XLogP3：

1.05100

Appearance：

white to off-white crystalline powder

Density：

1.432 g/cm3

Melting Point：

180-182 °C(lit.)

Boiling Point：

238.3ºC at 760 mmHg

Flash Point：

97.9ºC

Refractive Index：

1.391

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

36/37/38-43

safety instructions：

26-36/37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-amino-4,4,4-trifluorobutanoic acid

Computed Properties

Molecular Weight:157.09
XLogP3:-2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:157.03506292
Monoisotopic Mass:157.03506292
Topological Polar Surface Area:63.3
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 3-AMINO-4,4,4-TRIFLUOROBUTYRICACID

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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3-AMINO-4,4,4-TRIFLUOROBUTYRICACID

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