CAS 21635-88-1 3-Oxetanamine (HCID 9833923)

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Basic information

CAS: 21635-88-1
Standard SMILES: NC1COC1
InChIKey: OJEOJUQOECNDND-UHFFFAOYSA-N
Molecular formula: C3H7NO
Average molar mass: 73.09 g/mol
Monoisotopic mass: 73.05276384

Names & identifiers

Preferred name: 3-Oxetanamine
IUPAC: oxetan-3-amine
English name: 3-Oxetanamine
Molecular formula: C3H7NO
Molecular weight: 73.09

Names & synonyms

3-Oxetanamine21635-88-13-aminooxetaneDTXSID00431411RefChem:504626DTXCID10382243802-190-8Oxetan-3-amineoxetan-3-ylamineMFCD085443633-amino-oxetaneAKOS000171166

Show more names

Oxetan-3-yL3-Aminooxetane 96%3-Aminooxetane,95%3-Oxetanamine - [O5613]3-Aminooxetane≥ 99% (GC)3-aminooxetaneoxetan-3-amine3-oxetanaMine/3-aMinooxetane

GS-3698PB31297SY009105EN300-49064Z317054188oxetane-3-amineoxetan-3-yl amine3-Aminooxetane, 97%

Database identifiers

CAS: 21635-88-1
PubChem CID: 9833923
DTXSID: DTXSID00431411
EC Number: 802-190-8

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 33.9

Physicochemical properties

Boiling point: 99 ℃ · 99℃
Density: 1.042 g/mL · 1.042 g/mL at 25 °C
refractive index: 20 · n20/D1.453
Flash point: 54 °C · 54 °C
storage temp.: -20 °C · -20°C
form: Liquid
pka: 7 · 7.00±0.20(Predicted)
color: Colorless to pale yellow
Water Solubility: Slightly soluble in water
Sensitive: Air Sensitive
InChI: InChI=1S/C3H7NO/c4-3-1-5-2-3/h3H,1-2,4H2
InChIKey: OJEOJUQOECNDND-UHFFFAOYSA-N
SMILES: O1CC(N)C1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS06
Signal word: Danger

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P303+P361+P353, P305+P354+P338, P317, P321, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (97.9%)

Safety data

wgk: 3
ridadr: 1992
hs_code: 29329990
risk_code: 10-22-41
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS06
hazard_code: Xn
safety_code: 26-39
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: Ⅲ
Hazard statements: H226-H301-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Flam. Liq. 3
Precautionary statements