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3-(BENZYLAMINO)-4-ETHOXYCYCLOBUT-3-ENE-1,2-DIONE

3-(BENZYLAMINO)-4-ETHOXYCYCLOBUT-3-ENE-1,2-DIONE structure

CAS No:
144913-06-4
Formula:
C13H13NO3
Chemical Name:
3-(BENZYLAMINO)-4-ETHOXYCYCLOBUT-3-ENE-1,2-DIONE
Synonyms:
3-(benzylamino)-4-ethoxycyclobut-3-ene-1,2-dione;3-Cyclobutene-1,2-dione,3-ethoxy-4-[(phenylmethyl)amino]-;3-Benzylamino-4-ethoxy-cyclobut-3-ene-1,2-dione;ACMC-1BX9H;SCHEMBL9208078;CTK4C4274;DTXSID30381778;CCG-41679;SBB097752;(R)-(+)-3,5-XYLBINAP

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3-(BENZYLAMINO)-4-ETHOXYCYCLOBUT-3-ENE-1,2-DIONE Basic Attributes

Molecular Weight：

231.25

Exact Mass：

231.09000

DSSTox ID：

DTXSID30381778

Characteristics

PSA：

55.4

XLogP3：

1.56700

Density：

1.23g/cm3

Melting Point：

68ºC

Boiling Point：

396ºC at 760 mmHg

Flash Point：

193.3ºC

Refractive Index：

1.577

Vapor Pressure：

1.77E-06mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi:Irritant;

Computed Properties

Molecular Weight:231.25
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:231.08954328
Monoisotopic Mass:231.08954328
Topological Polar Surface Area:55.4
Heavy Atom Count:17
Complexity:354
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(BENZYLAMINO)-4-ETHOXYCYCLOBUT-3-ENE-1,2-DIONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(BENZYLAMINO)-4-ETHOXYCYCLOBUT-3-ENE-1,2-DIONE

SDS

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