1-(Boc-amino)adamantane

• CAS: 151476-40-3
• Catalog Number: ACM151476403
• Category: Ethers
• Molecular Weight: 251.36
• Molecular Formula: C₁₅H₂₁NO₄
• Synonyms: N-t-Butoxycarbonyl-1-adamantylamine; N-t-Boc-1-aminoadamantane;; Tricyclo[3.3.1.13,7]dec-1-ylcarbamic Acid 1,1-Dimethylethyl Ester
• IUPAC Name: tert-butyl N-(1-adamantyl)carbamate
• Canonical SMILES: CC(C)(C)OC(=O)NC12CC3CC(C1)CC(C3)C2
• InChI Key: LSVGBVIPHLXQPG-UHFFFAOYSA-N
• Boiling Point: 351.3ºC at 760 mmHg
• Flash Point: 166.2ºC
• Density: 1.07g/cm³
• Appearance: White Solid
• Exact Mass: 251.18900
• Hazard Statements: H302
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 1-(Boc-amino)adamantane?

The molecular formula of 1-(Boc-amino)adamantane is C15H25NO2.

When was 1-(Boc-amino)adamantane created in PubChem?

1-(Boc-amino)adamantane was created in PubChem on 2005-09-13.

What is the molecular weight of 1-(Boc-amino)adamantane?

The molecular weight of 1-(Boc-amino)adamantane is 251.36 g/mol.

What are some synonyms for 1-(Boc-amino)adamantane?

Some synonyms for 1-(Boc-amino)adamantane include N-t-Boc-1-adamantylamine, tert-Butyl adamantan-1-ylcarbamate, and tert-butyl N-(1-adamantyl)carbamate.

What is the canonical SMILES of 1-(Boc-amino)adamantane?

The canonical SMILES of 1-(Boc-amino)adamantane is CC(C)(C)OC(=O)NC12CC3CC(C1)CC(C3)C2.

What is the InChIKey of 1-(Boc-amino)adamantane?

The InChIKey of 1-(Boc-amino)adamantane is LSVGBVIPHLXQPG-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 1-(Boc-amino)adamantane have?

1-(Boc-amino)adamantane has 1 hydrogen bond donor count.

What is the topological polar surface area of 1-(Boc-amino)adamantane?

The topological polar surface area of 1-(Boc-amino)adamantane is 38.3Ų.

Does 1-(Boc-amino)adamantane have any defined atom stereocenter count?

No, 1-(Boc-amino)adamantane does not have any defined atom stereocenter count.

Is 1-(Boc-amino)adamantane's compound canonicalized in PubChem?

Yes, 1-(Boc-amino)adamantane's compound is canonicalized in PubChem.