Basic information
- CAS
59606-05-2- Standard SMILES
CC(C)NC1CCc2c(ccc(O)c2CO)C1O- InChIKey
BRGJIYTULBITAY-UHFFFAOYSA-N- Molecular formula
- C14H21NO3
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.15214353
Overview
structure given in first source
Names & identifiers
- Preferred name
- 5-Hydroxymethyl-6-hydroxy-2-isopropylamino-1,2,3,4-tetrahydronaphthalene-1-ol
- IUPAC
- 5-(hydroxymethyl)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol
- English name
- 5-hydroxymethyl-6-hydroxy-2-isopropylamino-1,2,3,4-tetrahydronaphthalene-1-ol
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.24
Names & synonyms
Hhi-TN59606-05-25-Hydroxymethyl-6-hydroxy-2-isopropylamino-1,2,3,4-tetrahydronaphthalene-1-olRefChem:102903SCHEMBL10936521DTXSID70975014BRGJIYTULBITAY-UHFFFAOYSA-NDB-2961441,6-dihydroxy-5-hydroxymethyl-2-isopropylamino-1,2,3,4-tetrahydronaphthalene1,6-Naphthalenediol, 2-amino-1,2,3,4-tetrahydro-5-(hydroxymethyl)-, trans-5-(Hydroxymethyl)-2-[(propan-2-yl)amino]-1,2,3,4-tetrahydronaphthalene-1,6-diol1,6-Naphthalenediol, 2-amino-1,2,3,4-tetrahydro-5-(hydroxymethyl)-, trans- (9CI)
Database identifiers
- CAS
59606-05-2- PubChem CID
- 47728
- DTXSID
DTXSID70975014
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Related reactions
2 records
Compound notes
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