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2079-89-2

2079-89-2 Structure

2079-89-2 Structure
IdentificationMore
[Name]

3-AMINOPROPIONITRILE FUMARATE
[CAS]

2079-89-2
[Synonyms]

3-AMINOPROPIONITRILE FUMARATE
3-AMINOPROPIONITRILE FUMARATE SALT
BETA-AMINOPROPIONITRILE MONOFUMARATE
BETA-AMINOPROPIONITRILE MONOFUMARATE SALT
BIS-(3-AMINOPROPIONITRILE) FUMARATE
TIMTEC-BB SBB008547
3-amino-propanenitril(e)-2-butenedioate(2:1)
3-amino-propionitrilfumarate(2:1)
beta-aminopropionitrile,fumarate
di-beta-aminopropionitrilefumarate
2-Cyanoethylamine hemifumarate
3-Aminopionitrile Fumarate
B-aminopropionitrile monofumarate
di(2-cyanoethylammonium) fumarate
bis(3-aminopropiononitrile) fumarate
3-AMINOPROPIONITRILE FUMARATE, 99+%
3-AMINOPROPIONITRILE FUMARATE (BETA-) 98+%
Bis-(3-aminopropionitrile) fumarate, 99+%
3-Aminopropionitrile fumarate, 98+%
3-Aminopropionitrile/fumaric acid,(2:1)
[EINECS(EC#)]

218-208-7
[Molecular Formula]

C7H10N2O4
[MDL Number]

MFCD00078321
[Molecular Weight]

186.17
[MOL File]

2079-89-2.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE CRYSTALLINE POWDER
[Melting point ]

177 °C (dec.)(lit.)
[storage temp. ]

-20°C
[solubility ]

water: 50 mg/mL, clear, colorless to faintly yellow
[form ]

Crystalline Powder
[color ]

White
[biological source]

synthetic (organic)
[Water Solubility ]

almost transparency
[BRN ]

3573532
[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+;;
[InChIKey]

NYMXYZMHOZAPHQ-SEPHDYHBSA-N
[SMILES]

NCCC#N.NCCC#N.OC(=O)\C=C\C(O)=O
[CAS DataBase Reference]

2079-89-2(CAS DataBase Reference)
[EPA Substance Registry System]

Propanenitrile, 3-amino-, (2E)-2-butenedioate (2:1) (2079-89-2)
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Danger
[Hazard statements ]

H360FD
[Precautionary statements ]

P201-P202-P280-P308+P313-P405-P501
[Hazard Codes ]

T
[Risk Statements ]

R61:May cause harm to the unborn child.
[Safety Statements ]

S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[WGK Germany ]

3
[RTECS ]

UG0700000
[TSCA ]

Yes
[HS Code ]

29269095
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Repr. 1B
[Safety Profile]

Moderately toxic by ingestion and intraperitoneal routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of NO, and CN-. See also NITRILES.
[Toxicity]

LDLo orl-rat: 800 mg/kg TJADAB 5,33,72
Hazard InformationBack Directory
[Chemical Properties]

WHITE CRYSTALLINE POWDER
[Uses]

3-Aminopropionitrile fumarate salt has been used as a lysyl oxidase (LOX) inhibitor:
  • to inhibit collagen cross-linking during microtissue formation and culture
  • in LIM domain only 1 (LMO1)- or vector-expressing BE2C neuroblastoma cell line in transwell migration and invasion assay
  • in lysyl oxidase (LOX) activity assay
  • to study requirement of LOX activity for inducing hypoxia-inducible factor (HIF)2A-dependent stiffness in mouse organoids

[Definition]

ChEBI: A fumarate salt prepared from beta-aminopropionitrile by reaction of one molecule of fumaric acid for every two molecules of beta-aminopropionitrile.
[Biochem/physiol Actions]

3-Aminopropionitrile (β-Aminopropionitrile (BAPN)) functions as an irreversible inhibitor of lysyl oxidase (LOX), an enzyme involved in collagen cross-linking.
Spectrum DetailBack Directory
[Spectrum Detail]

3-AMINOPROPIONITRILE FUMARATE(2079-89-2)1HNMR
3-AMINOPROPIONITRILE FUMARATE(2079-89-2)13CNMR
3-AMINOPROPIONITRILE FUMARATE(2079-89-2)IR1
3-AMINOPROPIONITRILE FUMARATE(2079-89-2)IR2
3-AMINOPROPIONITRILE FUMARATE(2079-89-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Aminopropionitrile fumarate, 99+%(2079-89-2)
[Alfa Aesar]

3-Aminopropionitrile fumarate, 98+%(2079-89-2)
[Sigma Aldrich]

2079-89-2(sigmaaldrich)
[TCI AMERICA]

3-Aminopropionitrile Fumarate,>98.0%(T)(2079-89-2)
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