8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane

HCID 726449
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Basic information

CAS
37943-54-7
Standard SMILES
c1ccc(CN2CCC3(CC2)OCCO3)cc1
InChIKey
AOAMQMAEEUONRT-UHFFFAOYSA-N
Molecular formula
C14H19NO2
Average molar mass
233.31 g/mol
Monoisotopic mass
233.14157885

Names & identifiers

Preferred name
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
IUPAC
8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane
English name
8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane
Molecular formula
C14H19NO2
Molecular weight
233.31

Names & synonyms

8-benzyl-1,4-dioxa-8-azaspiro[4.5]decane37943-54-78-Benzyl-1,4-dioxa-8-azaspiro[4,5]decaneEINECS 253-727-28-(Phenylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane8-Benzyl-1,4-dioxa-8-azaspiro(4.5)decane1325761-63-4QSB5FM4G3MOprea1_125025Oprea1_294078SCHEMBL4432971,4-Dioxa-8-azaspiro[4.5]decane, 8-(phenylmethyl)-
Show more names
SCHEMBL11686136DTXSID301236974AKOS000523951AB10329HS-5623NS000564348-benzyl-1,4-dioxa-8-azaspiro [4,5] decane8-benzyl-1,4-dioxa-8-aza-spiro [4,5] decane

Database identifiers

CAS
37943-54-7
PubChem CID
726449
DTXSID
DTXSID301236974
UNII
QSB5FM4G3M
EC Number
253-727-2
Nikkaji
J261.275E

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
21.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Physicochemical properties

Boiling point
335.1 · 335.1±42.0 °C(Predicted)
Density
1.14 · 1.14±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
9.12 · 9.12±0.20(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers10 total

苏州启航生物科技有限公司18151111370 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
上海偕腾生物科技有限公司+86-021-58975553 · [email protected]
南京奕明医药科技有限公司19850700912; 19850700912 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]

Related reactions

8 records
New reaction record

Compound notes

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