Diethyl (2-aminoethyl)phosphonate

HCID 2733596

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Basic information

CAS: 41468-36-4
Standard SMILES: CCOP(=O)(CCN)OCC
InChIKey: JUAGHBASZWRMQH-UHFFFAOYSA-N
Molecular formula: C6H16NO3P
Average molar mass: 181.17 g/mol
Monoisotopic mass: 181.08678

Names & identifiers

Preferred name: Diethyl (2-aminoethyl)phosphonate
IUPAC: 2-diethoxyphosphorylethanamine
English name: diethyl (2-aminoethyl)phosphonate
Molecular formula: C6H16NO3P
Molecular weight: 181.17

Names & synonyms

diethyl (2-aminoethyl)phosphonateRefChem:587003844-712-741468-36-42-diethoxyphosphorylethanamineDiethyl aminoethylphosphonateMFCD00192019Phosphonic acid, (2-aminoethyl)-, diethyl esterDiethyl 2-aminoethylphosphonate2-aminoethylphosphonic acid diethyl esterdiethyl(aminoethyl)phosphonateC6H16NO3P

Show more names

Diethyl P-(2-aminoethyl)phosphonatePhosphonic acid, P-(2-aminoethyl)-, diethyl ester

SCHEMBL479207SCHEMBL4573130DTXSID30369955JUAGHBASZWRMQH-UHFFFAOYSA-NAC6106AKOS006228885SY233150(2-aminoethyl)phosphonic acid diethylester

Database identifiers

CAS: 41468-36-4
PubChem CID: 2733596
DTXSID: DTXSID30369955
EC Number: 844-712-7
Nikkaji: J1.271.270G

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 61.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 11
Formal charge: 0
Complexity: 130

Physicochemical properties

Boiling point: 93 · 93-95 °C(Press: 4 Torr)
Density: 1.0515 g/cm3 · 1.0515 g/cm3
pka: 8.67 · 8.67±0.10(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 314 · H314-H332-H335-H312-H302
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H314-H332-H335-H312-H302
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501