3-(N-Benzyl-N-methylamino)propan-1-ol
Basic information
- CAS
5814-42-6- Standard SMILES
CN(CCCO)Cc1ccccc1- InChIKey
YQAUZGVTGQVMPM-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Names & identifiers
- Preferred name
- 3-(N-Benzyl-N-methylamino)propan-1-ol
- IUPAC
- 3-[benzyl(methyl)amino]propan-1-ol
- English name
- 3-(Benzylmethylamino)-1-propanol
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
1-Propanol, 3-[methyl(phenylmethyl)amino]-EINECS 227-381-83-(N-Benzyl-N-methylamino)propan-1-olAI3-525751-Propanol, 3-(methyl(phenylmethyl)amino)-NSC 89745RefChem:495653227-381-85814-42-63-(Benzylmethylamino)-1-propanol3-[benzyl(methyl)amino]propan-1-ol3-(Benzyl(methyl)amino)propan-1-ol
Show more names
3-(BENZYLMETHYLAMINO)-1-PROPANOL 95%3-(N-Benzyl-N-methylamino)-1-propanol3-[methyl(phenylmethyl)amino]propan-1-ol3-[Methyl(phenylmethyl)amino]-1-propanol
NSC89745MFCD00002946SCHEMBL5744436SCHEMBL7284935DTXSID90973714FAA81442NSC-897453-(benzyl-methyl-amino)-propan-1-ol
Database identifiers
- CAS
5814-42-6- PubChem CID
- 79884
- DTXSID
DTXSID90973714- EC Number
- 227-381-8
- Nikkaji
- J218.072C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 311.8 °C · 311.8°C (rough estimate)
- Density
- 1.001 · 1.0010
- refractive index
- 1.523 · 1.5230 (estimate)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- safety_code
- 26-36/37/39
- Hazard statements
- H318-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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