1-Propanol, 2-(dimethylamino)-
Basic information
- CAS
15521-18-3- Standard SMILES
CC(CO)N(C)C- InChIKey
PBKGYWLWIJLDGZ-UHFFFAOYSA-N- Molecular formula
- C5H13NO
- Average molar mass
- 103.16 g/mol
- Monoisotopic mass
- 103.09971404
Names & identifiers
- Preferred name
- 1-Propanol, 2-(dimethylamino)-
- IUPAC
- 2-(dimethylamino)propan-1-ol
- English name
- DL-2-DIMETHYLAMINO-1-PROPANOL
- Molecular formula
- C5H13NO
- Molecular weight
- 103.16
Names & synonyms
2-(Dimethylamino)propan-1-ol15521-18-31-Propanol, 2-(dimethylamino)-2-(dimethylamino)-1-propanol2-Dimethylamino-1-propanol2-(Dimethylamino)propanolEINECS 239-558-7NSC 17707DTXSID20871239RefChem:436224DTXCID50818910239-558-7
Show more names
Methadone Hydrochloride Impurity 20
n,n-dimethylalaninolDL-2-DIMETHYLAMINO-1-PROPANOLMFCD00014425Methadone Impurity 11NSC17707SCHEMBL9761SCHEMBL9762orb3218188
Database identifiers
- CAS
15521-18-3- PubChem CID
- 85865
- DTXSID
DTXSID20871239- EC Number
- 239-558-7
- Nikkaji
- J112.299A
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 45.3
Physicochemical properties
- Melting point
- 29.84 °C · 29.84°C (estimate)
- Boiling point
- 193.43 °C · 193.43°C (rough estimate)
- Density
- 0.882 · 0.8820
- refractive index
- 1.4435 · 1.4435 (estimate)
- pka
- 14.69 · 14.69±0.10(Predicted)
- EPA Substance Registry System
- 1 · 1-Propanol, 2-(dimethylamino)- (15521-18-3)
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 225 · H225-H314
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P235-P405-P501
- Hazard Codes
- Xi
- RIDADR
- 2735 · UN2735
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 2922190090 · 2922190090
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
Danger
H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (50%)
Safety data
- tsca
- TSCA listed
- ridadr
- UN2735
- hs_code
- 2922190090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H225-H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P235-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanol, 2-(dimethylamino)-: ACTIVE
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Related reactions
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Compound notes
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