2-(Piperidin-4-yloxy)pyrimidine

HCID 3836732
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Basic information

CAS
499240-48-1
Standard SMILES
c1cnc(OC2CCNCC2)nc1
InChIKey
IAFUZCLDORRBJY-UHFFFAOYSA-N
Molecular formula
C9H13N3O
Average molar mass
179.22 g/mol
Monoisotopic mass
179.10586205

Names & identifiers

Preferred name
2-(Piperidin-4-yloxy)pyrimidine
IUPAC
2-piperidin-4-yloxypyrimidine
English name
2-(Piperidin-4-yloxy)pyrimidine
Molecular formula
C9H13N3O
Molecular weight
179.22

Names & synonyms

2-(Piperidin-4-yloxy)pyrimidine499240-48-12-(4-piperidyloxy)pyrimidine2-(Piperidin-4-yloxy)-pyrimidine2-piperidin-4-yloxypyrimidineMFCD05864743SCHEMBL759186DTXSID00397109ACETYLCARYOPHYLLENEAMY1929SCHEMBL31215082-[(Piperidin-4-yl)oxy]pyrimidine
Show more names
Pyrimidine, 2-(4-piperidinyloxy)-2-(Piperidin-4-yloxy)pyrimidine95%2-(4-piperidin-1-iumyloxy)pyrimidine2-(piperidin-4-yloxy)pyrimidine 2HCl
BBL036937SBB089562STL411788AKOS009158208DS-7602SB42952SY014215DB-001520

Database identifiers

CAS
499240-48-1
PubChem CID
3836732
DTXSID
DTXSID00397109

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
47 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Boiling point
325.4 · 325.4±52.0 °C(Predicted)
Density
1.131 · 1.131±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
9.43 · 9.43±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Suppliers45 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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