(Butylamino)acetonitrile

Base Information

• Chemical Name: (Butylamino)acetonitrile
• CAS No.: 3010-04-6
• Molecular Formula: C6H12 N2
• Molecular Weight: 112.175
• Hs Code.: 2926909090
• European Community (EC) Number: 221-132-7
• NSC Number: 103146
• DSSTox Substance ID: DTXSID90184186
• Nikkaji Number: J27.763K
• Wikidata: Q83055067
• Mol file: 3010-04-6.mol

Synonyms:(Butylamino)acetonitrile;(n-Butylamino)acetonitrile;3010-04-6;2-(butylamino)acetonitrile;N-n-Butylaminoacetonitrile;Acetonitrile, (butylamino)-;butylaminoacetonitrile;butylamino-acetonitrile;NSC103146;2-butylaminoacetonitrile;SCHEMBL442358;(Butylamino)acetonitrile, 97%;SPMMZKAWNAKPJM-UHFFFAOYSA-;DTXSID90184186;STR05046;EINECS 221-132-7;MFCD00001888;AKOS000251132;NSC 103146;NSC-103146;CS-0323723;F79751;J-017781

Chemical Property of (Butylamino)acetonitrile

Chemical Property:

• Vapor Pressure: 0.253mmHg at 25°C
• Refractive Index: n20/D 1.434(lit.)
• Boiling Point: 205.2°Cat760mmHg
• Flash Point: 77.9°C
• PSA: 35.82000
• Density: 0.864g/cm³
• LogP: 1.29058
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 112.100048391
• Heavy Atom Count: 8
• Complexity: 79.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

(Butylamino)acetonitrile 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCNCC#N

Technology Process of (Butylamino)acetonitrile

There total 9 articles about (Butylamino)acetonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

chloroacetonitrile (107-14-2) + N-butylamine (109-73-9,85404-21-3) → N-butylaminoacetonitrile (3010-04-6)

Guidance literature:

With potassium carbonate; In acetonitrile; for 3h; Heating;

DOI:10.1016/j.tetlet.2007.11.109

Reference yield:

N-butylamine (109-73-9,85404-21-3) + glycolonitrile (107-16-4) → N-butylaminoacetonitrile (3010-04-6)

Guidance literature:

With ethanol;

DOI:10.1021/ja01597a049

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + hydrogen cyanide (74-90-8) + N-butylamine (109-73-9,85404-21-3) → N-butylaminoacetonitrile (3010-04-6)

Guidance literature:

With water;

DOI:10.1021/ja01115a513

upstream raw materials:

formaldehyd

sodium cyanide

n-butylamine hydrochloride

hydrogen cyanide

Downstream raw materials:

2,3-dihydro-2,2-dimethylbenzofuran-7-yl N-(N-butyl-N-cyanomethylaminosulfenyl)-N-methyl-carbamate

N-((pyridin-2-yl)methyl)butan-1-amine

2-Benzoyl-N-butyl-N-cyanomethyl-benzamide

N-Butyl-2-chloro-N-cyanomethyl-4-(3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-benzenesulfonamide

Refernces

• 1、 -. "Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides". . . Retrieved 2008/06/13.
• 2、 Guillemin, Jean-Claude,Denis, Jean-Marc. "SYNTHESE D'IMINES LINEAIRES NON-STABILISEES PAR REACTIONS GAZ-SOLIDE SOUS VIDE(1).". . p. 4431 - 4446. Retrieved 2007/10/02.