Basic information
- CAS
141019-01-4- Standard SMILES
COC(=O)c1ccc(CCCCN=[N+]=[N-])cc1- InChIKey
UUVWANUEKBSRCS-UHFFFAOYSA-N- Molecular formula
- C12H15N3O2
- Average molar mass
- 233.27 g/mol
- Monoisotopic mass
- 233.11642673
Names & identifiers
- Preferred name
- Benzoic acid, 4-(4-azidobutyl)-, methyl ester
- IUPAC
- methyl 4-(4-azidobutyl)benzoate
- English name
- methyl 4-(4-azidobutyl)benzoate
- Molecular formula
- C12H15N3O2
- Molecular weight
- 233.27
Names & synonyms
Methyl 4-(4-azidobutyl)benzoate141019-01-4Benzoic acid, 4-(4-azidobutyl)-, methyl esterDTXSID30469500DB-143208
Database identifiers
- CAS
141019-01-4- PubChem CID
- 11615585
- DTXSID
DTXSID30469500
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…