3-(Methylamino)propionitrile - CAS 693-05-0

Catalog:	BB033763
Product Name:	3-(Methylamino)propionitrile
CAS:	693-05-0
Synonyms:	3-(methylamino)propanenitrile

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3-(methylamino)propanenitrile
Description:	Aminoproponitriles can be used as inhibitors of oxidase enzymes and as a reagent for aminomethylphosphine ligands or the synthesis of aminobenzothiazoles.
Molecular Weight:	84.12
Molecular Formula:	C4H8N2
Canonical SMILES:	CNCCC#N
InChI:	InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3
InChI Key:	UNIJBMUBHBAUET-UHFFFAOYSA-N
Boiling Point:	182-186 ℃
Melting Point:	-21 ℃
Purity:	95 %
Density:	0.899 g/cm³
Appearance:	Clear yellow liquid
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00001954
LogP:	0.51038

Publication Number	Title	Priority Date
CN-112961061-A	Process for preparing N-methyl-1, 3-propane diamine by continuous catalytic reaction of two fixed bed reactors	20210308
CN-111875537-A	Betahistine synthesis method	20200609
WO-2021210586-A1	Condensed heterocyclic compound	20200414
CN-111454159-A	Preparation process method of N-methyl-1, 3-propane diamine	20200404
EP-3851423-A1	Use of reaction resin mixtures with a predefined polarity for adjusting the robustness of a mortar mass and method for adjusting the robustness of a mortar mass	20200114

PMID	Publication Date	Title	Journal
19209891	20090312	New insights into the design of inhibitors of human S-adenosylmethionine decarboxylase: studies of adenine C8 substitution in structural analogues of S-adenosylmethionine	Journal of medicinal chemistry

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Related Functional Groups

Amines and Anilines

[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1184994-08-8]
2,2-Dimethyl-1-pyrazol-1-ylmethyl-propylamine hydrochloride
[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
[1597-32-6]
2-Amino-6-fluoropyridine
[1239647-61-0]
2-Amino-6-methyl-[1,2,4]triazolo[1,5-a]pyridine

Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

GHS Hazard Statement:	H312 (97.56%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	59.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	84.068748264
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	84.068748264
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5