Basic information
- CAS
30954-98-4- Standard SMILES
CCCOC(=O)c1ccccc1N- InChIKey
QYGHESHPPSSONP-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- Propyl anthranilate
- IUPAC
- propyl 2-aminobenzoate
- English name
- Benzoic acid, 2-amino-, propyl ester
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
Propyl anthranilate30954-98-4Benzoic acid, 2-amino-, propyl esterAI3-02576NFC6UJU5RNNSC-13702DTXSID00184935RefChem:176477DTXCID40107426608-559-8propyl 2-aminobenzoateBenzoic acid, amino-, propyl ester
Show more names
PROPYLANTHRANILATE
Benzoic acid, 2-amino-,propyl esterNSC 13702Anthranilic acid, propyl esteranthranilic acid-n-propyl esterSCHEMBL1477706SCHEMBL10522754aminobenzoic acid ethylmethylesterNSC13702
Database identifiers
- CAS
30954-98-4- PubChem CID
- 95016
- DTXSID
DTXSID00184935- UNII
- NFC6UJU5RN
- EC Number
- 608-559-8
- Nikkaji
- J167.698I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 270 · 270.0±0.0 °C(Predicted)
- Density
- 1.102 · 1.102±0.06 g/cm3(Predicted)
- pka
- 2.14 · 2.14±0.10(Predicted)
- Odor
- 100 % · at 100.00 %. orangeflower vine herbal
- Odor Type
- floral
- LogP
- 3.198 · 3.198 (est)
- FDA UNII
- 6 UJU5RN · NFC6UJU5RN
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationBenzoic acid, 2-amino-, propyl ester: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Suppliers1 total
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
1 records
Compound notes
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