propallylonal (Q7250078)

Propallylonal (English)

14 October 2016

chemical formula

C₁₀H₁₃BrN₂O₃

1 reference

Propallylonal (English)

14 October 2016

canonical SMILES

CC(C)C1(C(=O)NC(=O)NC1=O)CC(=C)Br

1 reference

InChI=1S/C10H13BrN2O3/c1-5(2)10(4-6(3)11)7(14)12-9(16)13-8(10)15/h5H,3-4H2,1-2H3,(H2,12,13,14,15,16)

Propallylonal (English)

14 October 2016

1 reference

Identifiers

InChI

1 reference

Propallylonal (English)

KTGWBBOJAGDSHN-UHFFFAOYSA-N

14 October 2016

InChIKey

2 references

Propallylonal (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

545-93-7

2 references

Global Substance Registration System

propallylonal (English)

KTGWBBOJAGDSHN-UHFFFAOYSA-N

14 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=545-93-7

1 reference

propallylonal (English)

14 October 2016

1 reference

Propallylonal (English)

14 October 2016

ChEBI ID

135199

mapping relation type

exact match

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

ChEBI release 2019-10-02

SureChEMBL ID

SCHEMBL713682

1 reference

based on heuristic

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID90125397

0 references

EC number

208-896-7

1 reference

Global Substance Registration System

propallylonal (English)

ECHA Substance Infocard ID

14 October 2016

100.008.088

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.088

27 December 2018

5-(2-bromoallyl)-5-isopropylbarbituric acid (English)

quotation

CAS no.: 545-93-7 (English)

1 reference

Global Substance Registration System