Aminoacetonitrile

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CAS Number

540-61-4

Synonyms

2-aminoacetonitrile

MDL Number

MFCD00078890

Purity

98%

Smiles

C(C#N)N

Chemical Information

Aminoacetonitrile

Cyanomethylamine.

CAS Number	540-61-4
PubChem CID	10901
IUPAC Name	2-aminoacetonitrile
Molecular Formula	C2H4N2
Molecular Weight	56.07
XLogP	-1.4
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	4
Formal Charge	0
Complexity	39

SMILES

C(C#N)N

InChI

InChI=1S/C2H4N2/c3-1-2-4/h1,3H2

InChIKey

DFNYGALUNNFWKJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 540-61-4

CID: 10901

Formula: C2H4N2

MW: 56.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	56.07
XLogP3	-1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	56.037448136
Monoisotopic Mass	56.037448136
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	39.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
258178-01	Aminoacetonitrile
441380-01	Aminoacetonitrile Hydrochloride
sc-227247	Aminoacetonitrile hydrogensulfate
270711-01	Diethyl aminoacetonitrile
258627-01	Aminoacetonitrile HCl
28635833	Aminoacetonitrile bisulfate
abx182364-01	Aminoacetonitrile sulfate
A17010	Aminoacetonitrile hydrogen sulfate 95%
457398-01	N- (Diphenylmethylene) aminoacetonitrile
A16998	Aminoacetonitrile hydrochloride 98%