3-Aminocrotononitrile

CAS
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Purity
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CAS
1118-61-2
Size
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Purity
96%
Price
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Catalog Number

ACM1118612

Product Name

3-Aminocrotononitrile

Structure

Structure

CAS

1118-61-2

Category

Alkenes

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

Molecular Weight

82.10

Molecular Formula

C₃H₈ClN

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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.

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