3-Pentanone oxime

HCID 2801745
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Basic information

CAS
1188-11-0
Standard SMILES
CCC(CC)=NO
InChIKey
NAQQTJZRCYNBRX-UHFFFAOYSA-N
Molecular formula
C5H11NO
Average molar mass
101.15 g/mol
Monoisotopic mass
101.08406397

Names & identifiers

Preferred name
3-Pentanone oxime
IUPAC
N-pentan-3-ylidenehydroxylamine
English name
Diethyl ketone oxime
Molecular formula
C5H11NO
Molecular weight
101.15

Names & synonyms

3-pentanone oxime1188-11-0DTXSID90384321RefChem:1068444DTXCID60335345N-(pentan-3-ylidene)hydroxylaminepentan-3-one oxime3-Pentanone, oximeN-pentan-3-ylidenehydroxylamineMFCD00110982diethyl ketone oximediethylnitrone
Show more names
Pentane-3-oneoxime
SCHEMBL273798SCHEMBL5847339SCHEMBL8012006SCHEMBL8018653SCHEMBL8051494SCHEMBL8051807AKOS008939529DB-015124

Database identifiers

CAS
1188-11-0
PubChem CID
2801745
DTXSID
DTXSID90384321
Nikkaji
J191.417K

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
32.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
7

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point
-22.9 °C · -22.9 °C
Boiling point
164.8 °C · 164.8 °C
Density
0.89 · 0.89±0.1 g/cm3(Predicted)
pka
12.42 · 12.42±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

hs_code
2928009090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P280-P302+P352-P362+P364

Chemistry & industry

Upstream & downstream products

Suppliers1 total

江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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