Basic information
- Standard SMILES
CC(=O)NC12CC3CC(CC(C3)C1)C2- InChIKey
BCVXYGJCDZPKGV-UHFFFAOYSA-N- Molecular formula
- C12H19NO
- Average molar mass
- 193.28 g/mol
- Monoisotopic mass
- 193.14666423
Names & identifiers
- Preferred name
- 1-Acetamidoadamantane
- IUPAC
- N-(1-adamantyl)acetamide
- English name
- N-(1-Adamantyl)acetamide
- Molecular formula
- C12H19NO
- Molecular weight
- 193.29
Names & synonyms
1-Acetamidoadamantane880-52-4n-adamantylacetamideN-1-AdamantylacetamideAcetamide, N-tricyclo(3.3.1.13,7)dec-1-yl-5283Y1VOIIN-ACETYL AMANTADINEAcetamide, N-tricyclo[3.3.1.13,7]dec-1-yl-NSC-527917DTXSID9061255N-Tricyclo(3.3.1.13,7)dec-1-ylacetamideN-(TRICYCLO(3.3.1.13,7)DEC-1-YL)ACETAMIDE
Show more names
AcetamantadineAcyladamantamineAcetaMidoadaMantane1-Adamantylacetamide1-AcetamidodamantaneAdamantane acetamide1-acetyladamantanamine
AMANTADINE HYDROCHLORIDE IMPURITY B (EP IMPURITY)AMANTADINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]RefChem:1113325212-914-9N-(1-Adamantyl)acetamideN-(adamantan-1-yl)acetamideN-Acetyl Adamantamine1-Acetylaminoadamantane
Database identifiers
- CAS
880-52-4- PubChem CID
- 64153
- DTXSID
DTXSID9061255- UNII
- 5283Y1VOII
- EC Number
- 212-914-9
- Nikkaji
- J286K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 148 · 148-149 °C(lit.)
- Boiling point
- 329.52 °C · 329.52°C (rough estimate)
- Density
- 0.9854 · 0.9854 (rough estimate)
- refractive index
- 1.4596 · 1.4596 (estimate)
- storage temp.
- 0 · 0-6°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Crystalline Powder
- pka
- 16.16 · 16.16±0.20(Predicted)
- color
- White to yellow
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)
- InChIKey
- BCVXYGJCDZPKGV-UHFFFAOYSA-N
- SMILES
- C(NC12CC3CC(CC(C3)C1)C2)(=O)C
- CAS DataBase Reference
- 880 · 880-52-4(CAS DataBase Reference)
- FDA UNII
- 5283 Y1VOII · 5283Y1VOII
- NIST Chemistry Reference
- N-(1-adamantyl)acetamide(880-52-4)
- EPA Substance Registry System
- 3.3 · Acetamide, N-tricyclo[3.3.1.13,7]dec-1-yl- (880-52-4)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 261 · P261-P280-P301+P312+P330
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 36 · 36-24/25-26
- WGK Germany
- 3 · 3
- RTECS
- 4308000 · AB4308000
- TSCA
- TSCA listed
- HS Code
- 29242998 · 29242998
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: N-tricyclo[3.3.1.13,7]dec-1-ylacetamide (EC: 212-914-9)
Hazard Classes and CategoriesAcute Tox. 4 (91.1%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AB4308000
- hs_code
- 29242998
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 36-24/25-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- Precautionary statements
- P261-P280-P301+P312+P330
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-tricyclo[3.3.1.13,7]dec-1-yl-: ACTIVE
Applications
UsesA metabolite of Adamantamine
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
重庆茂环科技有限公司13996103726 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
医恩医疗系统研发（上海）有限公司021-58958002 18930822973 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
湖北军瑞生物科技有限公司13971166412 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
四川普西奥标物科技有限公司13540909846 13882008651 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Related reactions
2 records
Linked notes
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