Basic information
- CAS
3405-48-9- Standard SMILES
O=CNC12CC3CC(CC(C3)C1)C2- InChIKey
BUPHJFOIWZKPNV-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Names & identifiers
- Preferred name
- 1-Adamantylformamide
- IUPAC
- N-(1-adamantyl)formamide
- English name
- N-(1-Adamantyl)formamide
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
1-adamantylformamideRefChem:429058658-640-7N-(1-Adamantyl)formamide3405-48-9FORMAMIDE, N-(1-ADAMANTYL)-1-(Formylamino)adamantaneN-adamantanylcarboxamideBRN 2209455formylaminoadamantane1-formamidoadamantaneSCHEMBL812582
Show more names
N-(1-adamantyl)methanamideFormamide, N-tricyclo[3.3.1.13,7]dec-1-yl-
SCHEMBL812583Formamide, N-tricyclo(3.3.1.1(3,7))dec-1-yl-SCHEMBL1649813SCHEMBL5523003DTXSID30187656N-(ADAMANTAN-1-YL)FORMAMIDESTL406639AKOS003884886
Database identifiers
- CAS
3405-48-9- PubChem CID
- 18856
- DTXSID
DTXSID30187656- EC Number
- 658-640-7
- Nikkaji
- J69.736B
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
- 13
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 140 °C · 140 °C
- Boiling point
- 332 · 332.0±9.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 16.04 · 16.04±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers7 total
重庆茂环科技有限公司13996103726 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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