Basic information
- CAS
5689-59-8- Standard SMILES
O=C(CCl)NC12CC3CC(CC(C3)C1)C2- InChIKey
PJRVXDKETNCCKR-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO
- Average molar mass
- 227.73 g/mol
- Monoisotopic mass
- 227.1076919
Names & identifiers
- Preferred name
- N-1-Adamantyl-2-chloroacetamide
- IUPAC
- N-(1-adamantyl)-2-chloroacetamide
- English name
- N-Adamantan-1-yl-2-chloro-acetamide
- Molecular formula
- C12H18ClNO
- Molecular weight
- 227.73
Names & synonyms
5689-59-8N-1-adamantyl-2-chloroacetamideAcetamide, N-(1-adamantyl)-2-chloro-DTXSID20205414RefChem:1091489DTXCID20127905N-(adamantan-1-yl)-2-chloroacetamideN-Adamantan-1-yl-2-chloro-acetamideN-(1-Adamantyl)-2-chloroacetamide1-ChloroacetylaminoadamantaneMFCD0173343064741-22-6
Show more names
AKOS USSH-4110476PJRVXDKETNCCKR-GOCCLTDMSA-NN-Chloroacetyl-1-aminoadamantaneN-(1-adamantyl)-2-chloro-ethanamide
N-adamantanyl-2-chloroacetamideBRN 2939500N-(1-adamantyl)chloroacetamide1-(Chloroacetylamino) Adamantane (CAAA)N-(chloroacetyl)aminoadamantaneSCHEMBL1718112CHEMBL5423519PJRVXDKETNCCKR-UHFFFAOYSA-N
Database identifiers
- CAS
5689-59-8- PubChem CID
- 64161
- DTXSID
DTXSID20205414- ChEMBL
CHEMBL5423519- Nikkaji
- J72.505F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 120 · 120-121℃
- Boiling point
- 385.3 · 385.3±21.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3 (20 ºC 760 Torr)
- pka
- 13.94 · 13.94±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers27 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
重庆茂环科技有限公司13996103726 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
Related reactions
2 records
Compound notes
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