1-Aminoimidazolidin-2-one

HCID 181697CAS 41401-76-7

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Basic information

Standard SMILES: NN1CCNC1=O
InChIKey: DHIVBEZCBBHIPZ-UHFFFAOYSA-N
Molecular formula: C3H7N3O
Average molar mass: 101.11 g/mol
Monoisotopic mass: 101.05891184

Names & identifiers

Preferred name: 1-Aminoimidazolidin-2-one
IUPAC: 1-aminoimidazolidin-2-one
English name: 2-Imidazolidinone,1-amino-(6CI,9CI)
Molecular formula: C3H7N3O
Molecular weight: 101.11

Names & synonyms

1-aminoimidazolidin-2-one41401-76-72-Imidazolidinone,1-amino-(6CI,9CI)2-Imidazolidinone, 1-amino-1-amino-2-imidazolidinoneN-aminoimidazolidinoneN-amino imidazolidinone1-AMino-iMidazolidinoneN-amino-2-oxoimidazolidine1-amino-imidazolidin-2-oneN-amino-imidazolidine-2-one1-amino-2-oxo-imidazolidine

Show more names

SCHEMBL1163501SCHEMBL7557141SCHEMBL10621488SCHEMBL10949343DTXSID00961662DHIVBEZCBBHIPZ-UHFFFAOYSA-N1-AMINOIMIDAZOLIDINONE,99%MFCD09836497

Database identifiers

CAS: 41401-76-7
PubChem CID: 181697
DTXSID: DTXSID00961662
EC Number: 156-198-5

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 58.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 92.2

Physicochemical properties

Melting point: 111.5 · 111.5-112 °C(Solv: ethanol (64-17-5))
Boiling point: 134 · 134-137 °C(Press: 2 Torr)
Density: 1.265 · 1.265±0.06 g/cm3(Predicted)
pka: 15.91 · 15.91±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.