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Ethyl (R)-4-cyano-3-hydroxybutyrate

Ethyl (R)-4-cyano-3-hydroxybutyrate structure

CAS No:
141942-85-0
Formula:
C7H11NO3
Chemical Name:
Ethyl (R)-4-cyano-3-hydroxybutyrate
Synonyms:
Butanoic acid,4-cyano-3-hydroxy-,ethyl ester,(3R)-;Butanoic acid,4-cyano-3-hydroxy-,ethyl ester,(R)-;Ethyl (R)-4-cyano-3-hydroxybutyrate;Ethyl (R)-4-cyano-3-hydroxybutanoate;(3R)-4-Cyano-3-hydroxybutyric acid ethyl ester;(R)-4-Cyano-3-hydroxybutyric acid ethyl ester;(R)-Ethyl 4-cyano-3-hydroxybutanoate;(R)-Ethyl-4-cyano-3-hydroxybutyrate;(R)-4-Cyano-3-hydroxybutyric acid ethyl ester
Categories:
Pharmaceutical Intermediates > Cardiovascular Agents

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Description

yellow liquid

Ethyl (R)-4-cyano-3-hydroxybutyrate Basic Attributes

Molecular Weight：

157.17

Exact Mass：

157.17

BRN：

5328715

EC Number：

430-220-6

DSSTox ID：

DTXSID10370024

HScode：

29269090

Characteristics

PSA：

70.3

XLogP3：

-0.24

Appearance：

Colorless to yellow Liquid

Density：

1.114 g/mL at 25 °C(lit.)

Boiling Point：

270 °C(lit.)

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.448(lit.)

Storage Conditions：

2-8°C

Vapor Pressure：

1.75E-05mmHg at 25°C

Specific rotation：

-5 º (neat)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|H315 (84.44%): 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 45 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|Aggregated GHS information provided by 31 companies from 3 notifications to the ECHA C&L Inventory.

Ethyl (R)-4-cyano-3-hydroxybutyrate Use and Manufacturing

analgesic, antipyretic, and anti-inflammatory

Computed Properties

Molecular Weight:157.17
XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:157.07389321
Monoisotopic Mass:157.07389321
Topological Polar Surface Area:70.3
Heavy Atom Count:11
Complexity:170
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethyl (R)-(-)-4-cyano-3-hydroxybutyate 141942-85-0

CAS No.: 141942-85-0

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Guide of Ethyl (R)-4-cyano-3-hydroxybutyrate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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Ethyl (R)-4-cyano-3-hydroxybutyrate

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