2-[(2-hydroxyethyl)(9H-purin-6-yl)amino]ethan-1-ol
Basic information
- CAS
6312-66-9- Standard SMILES
OCCN(CCO)c1ncnc2nc[nH]c12- InChIKey
HDFTZBLKBXGFGD-UHFFFAOYSA-N- Molecular formula
- C9H13N5O2
- Average molar mass
- 223.23 g/mol
- Monoisotopic mass
- 223.10692467
Overview
See also: 6-(Bis-(2-hydroxyethyl)amino)purine (annotation moved to).
Names & identifiers
- Preferred name
- 2-[(2-hydroxyethyl)(9H-purin-6-yl)amino]ethan-1-ol
- IUPAC
- 2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanol
- English name
- 2,2'-(7H-purin-6-ylazanediyl)diethanol
- Molecular formula
- C9H13N5O2
- Molecular weight
- 223.23
Names & synonyms
6312-66-92-[(2-hydroxyethyl)(9H-purin-6-yl)amino]ethan-1-ol2-[2-hydroxyethyl(7H-purin-6-yl)amino]ethanolNSC19995NSC-19995NCIStruc1_000459NCIStruc2_000535Oprea1_104215CHEMBL1741785DTXSID30334845NCI19995NSC40385
Show more names
6-(BIS-(2-HYDROXYETHYL)AMINO)PURINEEthanol, 2,2'-(9H-purin-6-ylimino)bis-2,2'-(7H-purin-6-ylazanediyl)diethanol
Adenine, N,N-bis(2-hydroxyethyl)-CCG-37798NCGC00013265NSC-40385AKOS010484714AKOS024323124NCGC00013265-02NCGC00096384-01
Database identifiers
- CAS
6312-66-9- PubChem CID
- 522083
- DTXSID
DTXSID30334845- ChEMBL
CHEMBL1741785
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- 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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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