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Propanedioic acid, 2,2-bis(2-cyanoethyl)-, 1,3-diethyl ester

Propanedioic acid, 2,2-bis(2-cyanoethyl)-, 1,3-diethyl ester structure

CAS No:
1444-05-9
Formula:
C13H18N2O4
Chemical Name:
Propanedioic acid, 2,2-bis(2-cyanoethyl)-, 1,3-diethyl ester
Synonyms:
Propanedioic acid,2,2-bis(2-cyanoethyl)-,1,3-diethyl ester;Malonic acid,bis(2-cyanoethyl)-,diethyl ester;Propanedioic acid,bis(2-cyanoethyl)-,diethyl ester;Diethyl bis(2-cyanoethyl)malonate;NSC 3669;Diethyl 2,2-bis(2-cyanoethyl)malonate;2,2-Bis-(2-cyano-ethyl)-malonic acid diethyl ester;1,3-Diethyl 2,2-bis(2-cyanoethyl)propanedioate

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Propanedioic acid, 2,2-bis(2-cyanoethyl)-, 1,3-diethyl ester Basic Attributes

Molecular Weight：

266.29300

Exact Mass：

266.29

EC Number：

215-886-6

NSC Number：

3669

HScode：

2926909090

Characteristics

PSA：

100.18000

XLogP3：

1.70656

Density：

1.124g/cm3

Melting Point：

62 °C

Boiling Point：

210-212 °C @ Press: 5 Torr

Flash Point：

174-176°C/0.5mm

Refractive Index：

1.466

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

R20/21/22

safety instructions：

S22-S36/37/39

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P363, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:266.29
XLogP3:0.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:266.12665706
Monoisotopic Mass:266.12665706
Topological Polar Surface Area:100
Heavy Atom Count:19
Complexity:373
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Propanedioic acid, 2,2-bis(2-cyanoethyl)-, 1,3-diethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Propanedioic acid, 2,2-bis(2-cyanoethyl)-, 1,3-diethyl ester

SDS

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