4-(Dimethylamino)benzhydrol
Basic information
- CAS
7494-77-1- Standard SMILES
CN(C)c1ccc(C(O)c2ccccc2)cc1- InChIKey
ZCFIOPJQDOOQQE-UHFFFAOYSA-N- Molecular formula
- C15H17NO
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.13101417
Names & identifiers
- Preferred name
- 4-(Dimethylamino)benzhydrol
- IUPAC
- [4-(dimethylamino)phenyl]-phenylmethanol
- English name
- 4-(Dimethylamino)benzhydrol
- Molecular formula
- C15H17NO
- Molecular weight
- 227.3
Names & synonyms
4-(Dimethylamino)benzhydrol7494-77-1DTXSID90322743RefChem:288908DTXCID90273862[4-(Dimethylamino)phenyl](phenyl)methanol(4-(Dimethylamino)phenyl)(phenyl)methanol[4-(dimethylamino)phenyl]-phenylmethanolMFCD00963078NSC401958p-Dimethylaminobenzhydrol4-Dimethylaminobenzhydrol
Show more names
Benzenemethanol, 4-(dimethylamino)-α-phenyl-
SCHEMBL2956966ZCFIOPJQDOOQQE-UHFFFAOYSA-NHAA49477AKOS000125983AKOS022308665NSC-401958[4-(dimethylamino)phenyl]-phenyl-methanol[4-(Dimethylamino)phenyl](phenyl)methanol #
Database identifiers
- CAS
7494-77-1- PubChem CID
- 344837
- DTXSID
DTXSID90322743- EC Number
- 107-164-3
- Nikkaji
- J605.170G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 66 · 66-67°C
- Boiling point
- 386.4 · 386.4±30.0 °C(Predicted)
- Density
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- pka
- 14.07 · 14.07±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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