N-Allylethylenediamine

HCID 520997

Notes Reactions

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Basic information

CAS: 40510-22-3
Standard SMILES: C=CCNCCN
InChIKey: YDLDORZAYJTSMR-UHFFFAOYSA-N
Molecular formula: C5H12N2
Average molar mass: 100.16 g/mol
Monoisotopic mass: 100.10004839

Names & identifiers

Preferred name: N-Allylethylenediamine
IUPAC: N'-prop-2-enylethane-1,2-diamine

Names & synonyms

40510-22-3n-allylethylenediamineRefChem:363172Ethylenediamine, N-allyl-1,2-Ethanediamine, N-2-propenyl-N'-prop-2-enylethane-1,2-diamine(2-AMINOETHYL)(PROP-2-EN-1-YL)AMINEN1-allylethane-1,2-diamineN-allyl-ethylenediamineN-allylethylendiamineSCHEMBL723199SCHEMBL3768143

Show more names

SCHEMBL4908181SCHEMBL8375109SCHEMBL9993563YDLDORZAYJTSMR-UHFFFAOYSA-NDTXSID801314444AKOS011421934N~1~-(Prop-2-en-1-yl)ethane-1,2-diamine

Database identifiers

CAS: 40510-22-3
PubChem CID: 520997
DTXSID: DTXSID801314444
Nikkaji: J802.161I

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 43.3

Related reactions

3 records

New reaction record

HRID 653658As reactantuspto-grants-1992_07

HRID 1574842As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2166937As reactantuspto-grants-1983_06

Compound notes

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