Methylaminoacetonitrile - CAS 5616-32-0

Name: Methylaminoacetonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029276
Product Name:	Methylaminoacetonitrile
CAS:	5616-32-0
Synonyms:	2-(methylamino)acetonitrile; 2-(methylamino)acetonitrile

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	2-(methylamino)acetonitrile
Description:	Methylaminoacetonitrile (CAS# 5616-32-0) is a useful research chemical.
Molecular Weight:	70.09
Molecular Formula:	C3H6N2
Canonical SMILES:	CNCC#N
InChI:	InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3
InChI Key:	PVVRRUUMHFWFQV-UHFFFAOYSA-N
Boiling Point:	150.2 °C at 760 mmHg
Density:	0.92 g/cm³
MDL:	MFCD00058964
LogP:	0.12028

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Related Functional Groups

Amines and Anilines

[556-90-1]C3H4N2OS
Pseudothiohydantoin
[1855911-19-1]C7H13BrClN3
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1250876-38-0]C8H14N4
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1082066-00-9]C7H8N2O
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[1431970-24-9]C8H14ClF2N3
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113429315-A	Purification and refining method of alkyl substituted aminoacetonitrile	20210628
CN-112358418-A	Preparation method of methylamino acetonitrile hydrochloride	20201118
WO-2021210586-A1	Condensed heterocyclic compound	20200414
WO-2021133749-A1	Substituted piperazine derivatives useful as t cell activators	20191223
WO-2021069575-A1	Heteroaryl-substituted pyrazine derivatives as pesticides	20191011

PMID	Publication Date	Title	Journal
16605077	20060301	Analysis of kanamycin A in human plasma and in oral dosage form by derivatization with 1-naphthyl isothiocyanate and high-performance liquid chromatography	Journal of separation science
12401361	20021125	Trace analysis of tobramycin in human plasma by derivatization and high-performance liquid chromatography with ultraviolet detection	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences

Complexity:	49.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	70.053098200
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	70.053098200
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4