3-(Dimethylamino)-1-phenylpropan-1-ol
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Basic information
- CAS
36296-95-4- Standard SMILES
CN(C)CCC(O)c1ccccc1- InChIKey
VELGOYBSKBKQFF-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101416
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-1-phenylpropan-1-ol
- IUPAC
- 3-(dimethylamino)-1-phenylpropan-1-ol
- English name
- 3-dimethylamino-1-phenyl-propan-1-ol
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
3-(dimethylamino)-1-phenylpropan-1-olDTXSID30970883RefChem:495019DTXCID50896359611-283-05554-64-33-Dimethylamino-1-phenyl-propan-1-olN,N-Dimethyl-3-phenyl-3-hydroxypropylamine3-Dimethylamino-1-phenyl-1-propanolMFCD000911353-(DIMETHYLAMINO)-1-PHENYL-1-PROPANOLN,N-dimethyl-3-phenyl-3-hydroxy-propanamine
Show more names
1-Phenyl-3-(dimethylamino)-1-propanolα-[2-(Dimethylamino)ethyl]benzenemethanolN,N-Dimethyl-3-hydroxy-3-phenylpropylamine3-Hydroxy-n,n-dimethyl-3-phenyl propylamineBenzeneMethanol, a-[2-(diMethylaMino)ethyl]-Benzenemethanol, α-[2-(dimethylamino)ethyl]-
Atomoxetine Impurity 203-dimethylamino-1-phenylpropan-1-ol3-(Dimethylamino)-1-phenyl-propan-1-olUSAF EL-801-Propanol, 3-dimethylamino-1-phenyl-36296-95-4Oprea1_048909Oprea1_362931
Database identifiers
- CAS
36296-95-4、5554-64-3- PubChem CID
- 110665
- DTXSID
DTXSID30970883- ChEMBL
CHEMBL120990- EC Number
- 611-283-0、803-405-8
- Nikkaji
- J50.974D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
Solubility13.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 47 · 47-48℃
- Boiling point
- 128 · 128-130℃ (3 Torr)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.21 · 14.21±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H332-H335-H312-H302
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312
- HS Code
- 2921490090 · 2921490090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Skin Irrit. 2 (100%)
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H332-H335-H312-H302
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312
Chemistry & industry
Applications
Uses3-Dimethylamino-1-phenyl-1-propanol is a useful synthetic intermediate. It can be used to prepare phenoxyphenyl diamine-based histamine H3 antagonists with serotonin reuptake inhibitor activities. It is also used to synthesize indolyl aryl propanamines as dual acting norepinephrine and serotonin reuptake inhibitors.
Related reactions
32 records
Compound notes
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