1-(Boc-amino)adamantane
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Basic information
- CAS
151476-40-3- Standard SMILES
CC(C)(C)OC(=O)NC12CC3CC(CC(C3)C1)C2- InChIKey
LSVGBVIPHLXQPG-UHFFFAOYSA-N- Molecular formula
- C15H25NO2
- Average molar mass
- 251.36 g/mol
- Monoisotopic mass
- 251.18852904
Names & identifiers
- Preferred name
- 1-(Boc-amino)adamantane
- IUPAC
- tert-butyl N-(1-adamantyl)carbamate
- English name
- N-t-Boc-1-adamantylamine
- Molecular formula
- C15H25NO2
- Molecular weight
- 251.37
Names & synonyms
1-(Boc-amino)adamantaneRefChem:427157685-747-6151476-40-3N-t-Boc-1-adamantylaminetert-Butyl adamantan-1-ylcarbamatetert-butyl N-(1-adamantyl)carbamateF0035-0406N-t-Boc-1-aminoadamantaneN-t-Butoxycarbonyl-1-adamantylamineSCHEMBL1362241-(Boc-amino)adamantane, 95%
Show more names
N-Boc-1-adamantylaminetert-butyl ((3s,5s,7s)-adamantan-1-yl)carbamatetert-Butyl N-tricyclo[3.3.1.13,7]dec-1-ylcarbamate
DTXSID60401099tert-Butyladamantan-1-ylcarbamateSMSSF-0059024N-adamantanyl(tert-butoxy)carboxamideTricyclo[3.3.1.13,7]dec-1-ylcarbamic Acid 1,1-Dimethylethyl EsterAKOS002323767FB188681-adamantanyl 2-methyl-2-propanecarbamate
Database identifiers
- CAS
151476-40-3- PubChem CID
- 4234802
- DTXSID
DTXSID60401099- EC Number
- 685-747-6
- Nikkaji
- J2.229.708B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 110 · 110-115°C
- Boiling point
- 351.261 · 351.261±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.078 · 1.078±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate
- form
- white powder
- pka
- 12.592 · 12.592±0.20(predicted)
- color
- White
- InChI
- 1S/C15H25NO2/c1-14(2,3)18-13(17)16-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12-,15-
- InChIKey
- LSVGBVIPHLXQPG-WUQLGEGHSA-N
- SMILES
- CC(C)(C)OC(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
- CAS DataBase Reference
- 151476 · 151476-40-3
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 60-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H400
- Hazard Classifications
- Aquatic Acute 1
- Precautionary statements
- P273
Chemistry & industry
Applications
UsesIntermediate for the preparation of Amantadine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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