Basic information
- CAS
1459-50-3- Standard SMILES
CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1- InChIKey
ZVJQMQNYDNEXKB-UHFFFAOYSA-N- Molecular formula
- C18H23NO
- Average molar mass
- 269.4 g/mol
- Monoisotopic mass
- 269.17796436
Names & identifiers
- Preferred name
- N-[4-(1-Adamantyl)phenyl]acetamide
- IUPAC
- N-[4-(1-adamantyl)phenyl]acetamide
- English name
- acetamide, N-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylphenyl)-
- Molecular formula
- C18H23NO
- Molecular weight
- 269.38
Names & synonyms
1459-50-3N-(4-(Adamantan-1-yl)phenyl)acetamideN-[4-(1-Adamantyl)phenyl]acetamideN-[4-(adamantan-1-yl)phenyl]acetamideMFCD00193824N-(4-((3r,5r,7r)-Adamantan-1-yl)phenyl)acetamideAcetamide, N-(4-tricyclo[3.3.1.13,7]dec-1-ylphenyl)-acetamide, N-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylphenyl)-p-adamantylacetanilideN-(4-Adamantan-1-yl-phenyl)-acetamidep-(1-Adamantyl)acetanilideOprea1_083020
Show more names
9-(2-BROMOETHYL)-2,7-DI-TERT-BUTYL-11H-FLUORENEN-(4-Tricyclo[3.3.1.13,7]dec-1-ylphenyl)acetamide
Oprea1_220879MLS001203354CHEMBL1547083SCHEMBL22445036N-(4-adamantanylphenyl)acetamideZVJQMQNYDNEXKB-UHFFFAOYSA-NDTXSID301320705HMS2823E12
Database identifiers
- CAS
1459-50-3- PubChem CID
- 536624
- DTXSID
DTXSID301320705- ChEMBL
CHEMBL1547083
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Experimental & physicochemical properties
Solubility0.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 173 · 173-175 °C
- Boiling point
- 448.6 · 448.6±24.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 15.07 · 15.07±0.70(Predicted)
- Appearance
- White to off-white Solid
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers19 total
上海策嵘生物科技有限公司[email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
河南欧博尔光电科技有限公司0371-65322607 18860389453 · [email protected]
陕西纯晶萃光电科技有限公司+86-13152027579 13152027579 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台盛凯伦化学科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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