Basic information
- CAS
102395-13-1- Standard SMILES
NC12CC3CC(CC(C3)C1)C2.O.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
JOHUDFNPAHHBSG-UHFFFAOYSA-N- Molecular formula
- C16H27NO8
- Average molar mass
- 361.39 g/mol
- Monoisotopic mass
- 361.17366682
Names & identifiers
- Preferred name
- 1-Adamantanamine citrate, monohydrate
- IUPAC
- adamantan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
- English name
- 1-ADAMANTANAMINE CITRATE MONOHYDRATE
- Molecular formula
- C10H17N.C6H8O7
- Molecular weight
- 343.37
Names & synonyms
1-ADAMANTANAMINE CITRATE, MONOHYDRATE102395-13-11-Aminoadamantane citrate monohydrateDTXSID20144990RefChem:227366DTXCID9067481adamantan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate1-ADAMANTANAMINE CITRATE MONOHYDRATE2-Hydroxypropane-1,2,3-tricarboxylic acid--adamantan-1-amine--water (1/1/1)1-ADAMANTANAMINE CITRATE
Database identifiers
- CAS
102395-13-1- PubChem CID
- 59320
- DTXSID
DTXSID20144990
Properties
Computed structural properties
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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