(Butylamino)acetonitrile (C6H12N2)

Looking for routes to (Butylamino)acetonitrile? (Butylamino)acetonitrile presents a C6 framework, basic nitrogen. Use the planner with prefilled SMILES, or copy CCCCNCC#N (CAS 3010-04-6).

Target: (Butylamino)acetonitrile
CAS: 3010-04-6
Formula: C6H12N2
Approx. MW: 112.18
SMILES: CCCCNCC#N
PubChem CID: 76373
Approx. carbons: C6

(Butylamino)acetonitrile structure

Properties

IUPAC name: 2-(butylamino)acetonitrile
Common names: (Butylamino)acetonitrile; DTXSID90184186; EINECS 221-132-7; RefChem:405973; DTXCID00106677; 221-132-7; (n-Butylamino)acetonitrile; 2-(butylamino)acetonitrile; 3010-04-6; N-n-Butylaminoacetonitrile
Molecular weight: 112.17
Exact mass: 112.10
InChIKey: SPMMZKAWNAKPJM-UHFFFAOYSA-N

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(Butylamino)acetonitrile 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of (Butylamino)acetonitrile?

(Butylamino)acetonitrile has molecular formula C6H12N2. Molecular weight about 112.18 g·mol⁻¹.

What is the CAS number of (Butylamino)acetonitrile?

The CAS Registry Number for (Butylamino)acetonitrile is 3010-04-6.

Run AI retrosynthesis for (Butylamino)acetonitrile Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H12N2.

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.