CAS 1417638-25-5 2-(3-Aminooxetan-3-yl)acetamide (HCID 75537524)

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Basic information

CAS: 1417638-25-5
Standard SMILES: NC(=O)CC1(N)COC1
InChIKey: QGVWIIQJCHMZSJ-UHFFFAOYSA-N
Molecular formula: C5H10N2O2
Average molar mass: 130.15 g/mol
Monoisotopic mass: 130.07422757

Names & identifiers

Preferred name: 2-(3-Aminooxetan-3-yl)acetamide
IUPAC: 2-(3-aminooxetan-3-yl)acetamide
English name: 3-Oxetaneacetamide, 3-amino-
Molecular formula: C5H10N2O2
Molecular weight: 130.15

Names & synonyms

2-(3-aminooxetan-3-yl)acetamide1417638-25-5RefChem:455086892-037-1MFCD265938223-Oxetaneacetamide, 3-amino-SCHEMBL14889621QGVWIIQJCHMZSJ-UHFFFAOYSA-N2-(3-Amino-oxetan-3-yl)-acetamideAKOS0163532392-(3-Aminooxetan-3-yl)acetamide, 97%SY541920

Show more names

E89124EN300-325796F2147-8605

Database identifiers

CAS: 1417638-25-5
PubChem CID: 75537524
EC Number: 892-037-1

Properties

Computed structural properties

XLogP: -1.8
Topological polar surface area: 78.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 131

Physicochemical properties

Boiling point: 348.5 · 348.5±27.0 °C(Predicted)
Density: 1.223 · 1.223±0.06 g/cm3(Predicted)
pka: 16.29 · 16.29±0.40(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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.