2-Propanol, 1-(isopropylamino)-3-(thymyloxy)-, hydrochloride
Basic information
- CAS
5790-40-9- Standard SMILES
Cc1ccc(C(C)C)c(OCC(O)CNC(C)C)c1.Cl- InChIKey
HCRQFQGEYOXNTH-UHFFFAOYSA-N- Molecular formula
- C16H28ClNO2
- Average molar mass
- 301.9 g/mol
- Monoisotopic mass
- 301.1808568
Names & identifiers
- Preferred name
- 2-Propanol, 1-(isopropylamino)-3-(thymyloxy)-, hydrochloride
- IUPAC
- 1-(5-methyl-2-propan-2-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
- English name
- 1-(Isopropylamino)-3-(2-isopropyl-5-methylphenoxy)propan-2-ol hydrochloride
- Molecular formula
- C16H28ClNO2
- Molecular weight
- 301.85
Names & synonyms
5790-40-91-(Isopropylamino)-3-(thymyloxy)-2-propanol hydrochloride2-Propanol, 1-(isopropylamino)-3-(thymyloxy)-, hydrochlorideRefChem:2658591-(2-isopropyl-5-methylphenoxy)-3-(isopropylamino)propan-2-ol hydrochloride1-(5-methyl-2-propan-2-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochlorideDTXSID30973495AKOS016394537AB90474VU0488194-1F494462SR-01000196876
Show more names
1-(Isopropylamino)-3-(2-isopropyl-5-methylphenoxy)propan-2-ol hydrochloride1-(2-Isopropyl-5-methylphenoxy)-3-(isopropylamino)-propan-2-ol hydrochloride
SR-01000196876-1F0050-00111-(2-isopropyl-5-methylphenoxy)-3-(isopropylamino)propan-2-olhydrochloride1-(5-methyl-2-propan-2-yl-phenoxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride1-(isopropylamino)-3-(2-isopropyl-5-methyl-phenoxy)propan-2-ol;hydrochloride1-[5-Methyl-2-(propan-2-yl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
5790-40-9- PubChem CID
- 201300
- DTXSID
DTXSID30973495
Properties
Computed structural properties
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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Related reactions
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Compound notes
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