1-(Pyridin-3-yl)heptan-1-one

HCID 222709
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Basic information

CAS
6294-61-7
Standard SMILES
CCCCCCC(=O)c1cccnc1
InChIKey
WJKSBMMOBQQEDB-UHFFFAOYSA-N
Molecular formula
C12H17NO
Average molar mass
191.27 g/mol
Monoisotopic mass
191.13101416

Names & identifiers

Preferred name
1-(Pyridin-3-yl)heptan-1-one
IUPAC
1-pyridin-3-ylheptan-1-one
English name
1-Pyridin-3-yl-heptan-1-one
Molecular formula
C12H17NO
Molecular weight
191.27

Names & synonyms

1-(pyridin-3-yl)heptan-1-one6294-61-71-pyridin-3-yl-heptan-1-oneNSC94933-heptanoylpyridineSCHEMBL551914DTXSID50278717WJKSBMMOBQQEDB-UHFFFAOYSA-NNSC-9493AKOS011913465SB539771-(3-Pyridinyl)-1-heptanone
Show more names
1-Heptanone, 1-(3-pyridinyl)-

Database identifiers

CAS
6294-61-7
PubChem CID
222709
DTXSID
DTXSID50278717

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
30 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
14

Physicochemical properties

storage temp.
2 · 2-8°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers3 total

HBCChem, Inc.+1-510-219-6317 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]

Related reactions

20 records
New reaction record

Compound notes

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