Benzyl[2-(diethylamino)ethyl]amine

HCID 296044

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Basic information

CAS: 15855-37-5
Standard SMILES: CCN(CC)CCNCc1ccccc1
InChIKey: VFXMWBGLBNFTSY-UHFFFAOYSA-N
Molecular formula: C13H22N2
Average molar mass: 206.33 g/mol
Monoisotopic mass: 206.17829871

Names & identifiers

Preferred name: Benzyl[2-(diethylamino)ethyl]amine
IUPAC: N-benzyl-N',N'-diethylethane-1,2-diamine
English name: N'-Benzyl-N,N-diethylethylenediamine
Molecular formula: C13H22N2
Molecular weight: 206.33

Names & synonyms

benzyl[2-(diethylamino)ethyl]amineDTXSID80304452benzyl(2-(diethylamino)ethyl)amineRefChem:566927DTXCID10255584831-639-015855-37-5N1-Benzyl-N2,N2-diethylethane-1,2-diamineN'-benzyl-N,N-diethylethylenediamineN-benzyl-N',N'-diethylethane-1,2-diamineMFCD00085772N~1~-benzyl-N~2~,N~2~-diethylethane-1,2-diamine

Show more names

1,2-Ethanediamine, N1,N1-diethyl-N2-(phenylmethyl)-

N-benzyl-N',N'-diethyl-ethane-1,2-diamineN/'-Benzyl-N,N-diethylethylenediaminediethyl{2-[benzylamino]ethyl}amineNSC165823SCHEMBL455309SCHEMBL8820756CHEMBL4923347VFXMWBGLBNFTSY-UHFFFAOYSA-N

Database identifiers

CAS: 15855-37-5
PubChem CID: 296044
DTXSID: DTXSID80304452
ChEMBL: CHEMBL4923347
EC Number: 831-639-0
Nikkaji: J307.674A

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 15
Formal charge: 0
Complexity: 137

Physicochemical properties

Boiling point: 135 °C · 135 °C(Press: 1.5 Torr)
Density: 0.934 · 0.934±0.06 g/cm3(Predicted)
pka: 9.96 · 9.96±0.25(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H335-H318-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H302-H335-H318-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310