Basic information
- CAS
1052404-52-0- Standard SMILES
C=CCOc1ccc(CNCc2cccnc2)cc1.Cl- InChIKey
SQBBCZUJCBPHHQ-UHFFFAOYSA-N- Molecular formula
- C16H19ClN2O
- Average molar mass
- 290.79 g/mol
Names & identifiers
- Preferred name
- (4-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine hydrochloride
- IUPAC
- 1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
- English name
- (4-Allyloxy-benzyl)-pyridin-3-ylmethyl-aminehydrochloride
- Molecular formula
- C16H18N2O.ClH
- Molecular weight
- 290.79
Names & synonyms
(4-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine hydrochloride(4-Allyloxy-benzyl)-pyridin-3-ylmethyl-aminehydrochloride1-(4-prop-2-enoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochlorideMLS001201443CHEMBL1888638AKOS015846622SMR000523929
Database identifiers
- CAS
1052404-52-0- ChEMBL
CHEMBL1888638
Properties
Computed structural properties
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 249
Experimental & physicochemical properties
Solubility>43.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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