3-Aminocrotononitrile

• CAS: 1118-61-2
• Catalog Number: ACM1118612
• Category: Alkenes
• Molecular Weight: 82.10
• Molecular Formula: C₃H₈ClN
• Synonyms: 3-Aminocrotononitrile, Diacetonitrile, 3-Aminocrotonitrile, 3-Iminobutyronitrile, .beta.-Aminocrotononitrile, 3-Amino-2-butenenitrile, 2-Butenenitrile, 3-amino-, 117641_ALDRICH, EINECS 214-266-2, NSC 102759, AI3-52447, T0517-6177, InChI=1/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3/b4-2, 1118-61-2
• IUPAC Name: (E)-3-aminobut-2-enenitrile
• InChI Key: DELJOESCKJGFML-DUXPYHPUSA-N
• Boiling Point: 120ºC 4mm
• Melting Point: 79-81ºC
• Flash Point: 154ºC
• Density: 0.92 g/cm³
• Appearance: slightly yellow
• Exact Mass: 82.05310
• Hazard Statements: H225-H301 + H331-H310-H411
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Packing Group: III
• RIDADR: UN 1993BF 3 / PGII
• Safety Description: S36/37
• Stability: Stable under normal temperatures and pressures.
• Symbol: GHS02
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3-Aminocrotononitrile?

The molecular formula of 3-Aminocrotononitrile is C4H6N2.

What is the molecular weight of 3-Aminocrotononitrile?

The molecular weight of 3-Aminocrotononitrile is 82.10 g/mol.

What are the synonyms of 3-Aminocrotononitrile?

The synonyms of 3-Aminocrotononitrile are 3-Aminocrotonitrile, (E)-3-aminobut-2-enenitrile, 1118-61-2, and 763-33-7.

When was 3-Aminocrotononitrile created?

3-Aminocrotononitrile was created on March 27, 2005.

When was 3-Aminocrotononitrile last modified?

3-Aminocrotononitrile was last modified on November 25, 2023.

What is the IUPAC name of 3-Aminocrotononitrile?

The IUPAC name of 3-Aminocrotononitrile is (E)-3-aminobut-2-enenitrile.

What is the InChI of 3-Aminocrotononitrile?

The InChI of 3-Aminocrotononitrile is InChI=1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3/b4-2+.

What is the InChIKey of 3-Aminocrotononitrile?

The InChIKey of 3-Aminocrotononitrile is DELJOESCKJGFML-DUXPYHPUSA-N.

What is the canonical SMILES of 3-Aminocrotononitrile?

The canonical SMILES of 3-Aminocrotononitrile is CC(=CC#N)N.

What is the isomeric SMILES of 3-Aminocrotononitrile?

The isomeric SMILES of 3-Aminocrotononitrile is C/C(=C\C#N)/N.