Butyronitrile, 4-((2-cyanoethyl)amino)-
Basic information
- CAS
75802-65-2- Standard SMILES
N#CCCCNCCC#N- InChIKey
MQFCAEFMKAECPE-UHFFFAOYSA-N- Molecular formula
- C7H11N3
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.09529736
Names & identifiers
- Preferred name
- Butyronitrile, 4-((2-cyanoethyl)amino)-
- IUPAC
- 4-(2-cyanoethylamino)butanenitrile
Names & synonyms
BUTYRONITRILE, 4-((2-CYANOETHYL)AMINO)-75802-65-24-((2-Cyanoethyl)amino)butyronitrileBRN 17473722390 I.S.(2-Cianoetil)-(3-cianopropil)ammina [Italian](2-Cianoetil)-(3-cianopropil)amminaDTXSID102267194-04-00-02610 (Beilstein Handbook Reference)RefChem:331354DTXCID901492104-[(2-CYANOETHYL)AMINO]BUTANENITRILE
Show more names
AKOS006220985
Database identifiers
- CAS
75802-65-2- PubChem CID
- 53352
- DTXSID
DTXSID10226719- Nikkaji
- J67.420F
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 156
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Compound notes
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