N-Styryldibenzylamine
Basic information
- CAS
5694-21-3- Standard SMILES
C(=CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1- InChIKey
YLABIYTVXBHXSD-UHFFFAOYSA-N- Molecular formula
- C22H21N
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.16739967
Names & identifiers
- Preferred name
- N-Styryldibenzylamine
- IUPAC
- N,N-dibenzyl-2-phenylethenamine
- English name
- N-Styryldibenzylamine
- Molecular formula
- C22H21N
- Molecular weight
- 299.41
Names & synonyms
N-STYRYLDIBENZYLAMINE5694-21-3RefChem:831089653-673-3SCHEMBL7664740SCHEMBL27649300AKOS024323746Benzenemethanamine, N-(2-phenylethenyl)-N-(phenylmethyl)-
Database identifiers
- CAS
5694-21-3- PubChem CID
- 49439
- EC Number
- 653-673-3
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 120 °C · 120 °C
- Boiling point
- 473.3 · 473.3±44.0 °C(Predicted)
- Density
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- pka
- 5.21 · 5.21±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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.
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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