(Methyleneamino)acetonitrile - CAS 109-82-0

Catalog:	BB002547
Product Name:	(Methyleneamino)acetonitrile
CAS:	109-82-0
Synonyms:	2-(methyleneamino)acetonitrile; 2-(methylideneamino)acetonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-(methylideneamino)acetonitrile
Description:	(Methyleneamino)acetonitrile (CAS# 109-82-0) is a useful research chemical.
Molecular Weight:	68.08
Molecular Formula:	C3H4N2
Canonical SMILES:	C=NCC#N
InChI:	InChI=1S/C3H4N2/c1-5-3-2-4/h1,3H2
InChI Key:	GFZMFCVDDFHSJK-UHFFFAOYSA-N
Boiling Point:	151.2 °C at 760 mmHg
Density:	0.84 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00001889
LogP:	0.21058

Publication Number	Title	Priority Date
CN-113264875-A	Synthesis method of flonicamid	20210327
CN-112552197-A	Kettle type continuous glycine production method	20201217
CN-112266335-A	Preparation process of aminoacetonitrile hydrochloride	20201118
CN-112167336-A	Chinese chestnut storage method	20200910
CN-111925322-A	Method for preparing flonicamid	20200820

PMID	Publication Date	Title	Journal
17243950	20070201	Sensitization to acrylates is a common adverse reaction to artificial fingernails	Journal of the European Academy of Dermatology and Venereology : JEADV
21782690	20040301	Evaluation of dose-response curve analysis in delineating shared or different molecular sites of action for osteolathyrogens	Environmental toxicology and pharmacology
11429278	20010701	Command and control: regulatory pathways controlling invasive behavior of the border cells	Mechanisms of development

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GHS Hazard Statement:	H302 (95.92%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	66.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	68.037448136
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	68.037448136
Rotatable Bond Count:	1
Topological Polar Surface Area:	36.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3