N-(4-oxo-1-adamantyl)acetamide

HCID 5338964
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Basic information

CAS
16790-59-3
Standard SMILES
CC(=O)NC12CC3CC(C1)C(=O)C(C3)C2
InChIKey
DNADEDKIQXROFJ-UHFFFAOYSA-N
Molecular formula
C12H17NO2
Average molar mass
207.27 g/mol
Monoisotopic mass
207.12592878

Names & identifiers

Preferred name
N-(4-oxo-1-adamantyl)acetamide
IUPAC
N-(4-oxo-1-adamantyl)acetamide
English name
AKOS BB-9929
Molecular formula
C12H17NO2
Molecular weight
207.27

Names & synonyms

N-(4-oxo-1-adamantyl)acetamide16790-59-3DTXSID80416802RefChem:362222DTXCID10367651N-(4-oxoadamantan-1-yl)acetamideMFCD01825779acetamide, N-(4-oxotricyclo[3.3.1.1~3,7~]dec-1-yl)-CBMicro_0182721-acetamido-4-oxoadamantaneOprea1_229701SCHEMBL75195
Show more names
AKOS BB-9929CHEMBRDG-BB 4012469
1-acetylamino-4-adamantanoneDNADEDKIQXROFJ-UHFFFAOYSA-NN-(2-oxoadamantan-5-yl)acetamideALBB-013720CCG-6847AKOS004121069AKOS017258531LS-04311

Database identifiers

CAS
16790-59-3
PubChem CID
5338964
DTXSID
DTXSID80416802

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
46.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
15

Physicochemical properties

Melting point
176 · 176-178 °C(Solv: acetone (67-64-1))
Boiling point
412.1 · 412.1±34.0 °C(Predicted)
Density
1.18 · 1.18±0.1 g/cm3(Predicted)
pka
15.91 · 15.91±0.20(Predicted)
HazardClass
IRRITANT

Safety & regulation

Safety data

hazard_class
IRRITANT

Chemistry & industry

Suppliers3 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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