(Q27163052)

EINECS 218-208-7 (English)

17 November 2016

chemical formula

C₁₀H₁₆N₄O₄

1 reference

EINECS 218-208-7 (English)

17 November 2016

canonical SMILES

C(CN)C#N.C(CN)C#N.C(=CC(=O)O)C(=O)O

1 reference

EINECS 218-208-7 (English)

17 November 2016

isomeric SMILES

C(CN)C#N.C(CN)C#N.C(=C/C(=O)O)\C(=O)O

1 reference

EINECS 218-208-7 (English)

InChI=1S/C4H4O4.2C3H6N2/c5-3(6)1-2-4(7)8;2*4-2-1-3-5/h1-2H,(H,5,6)(H,7,8);2*1-2,4H2/b2-1+;;

17 November 2016

Identifiers

InChI

1 reference

EINECS 218-208-7 (English)

17 November 2016

2 references

EINECS 218-208-7 (English)

17 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2079-89-2

1 reference

Global Substance Registration System

bis(3-aminopropiononitrile) fumarate (English)

17 November 2016

1 reference

3-Aminopropanenitrile (2E)-2-butenedioate (2:1) (English)

17 November 2016

2 references

EINECS 218-208-7 (English)

17 November 2016

139053194

1 reference

Reaxys registry number

3573532

1 reference

beta-aminopropionitrile hemifumarate (English)

9 October 2016

ChEBI ID

91084

mapping relation type

2 references

beta-aminopropionitrile hemifumarate (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C4H4O4.2C3H6N2/c5-3(6)1-2-4(7)8;2*4-2-1-3-5/h1-2H,(H,5,6)(H,7,8);2*1-2,4H2/b2-1+;;

1 reference

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

CHEMBL1315165 (English)

17 November 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID8025751

0 references

EC number

218-208-7

1 reference

Global Substance Registration System

bis(3-aminopropiononitrile) fumarate (English)

ECHA Substance Infocard ID

17 November 2016

100.016.553

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.016.553

27 December 2018

Bis(3-aminopropiononitrile) fumarate (English)

quotation

CAS no.: 2079-89-2 (English)

2 references

Global Substance Registration System

bis(3-aminopropiononitrile) fumarate (English)

17 November 2016