Isopropyl 3-aminobenzoate
Basic information
- CAS
35005-25-5- Standard SMILES
CC(C)OC(=O)c1cccc(N)c1- InChIKey
OLNWTCOHKOKNJU-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- Isopropyl 3-aminobenzoate
- IUPAC
- propan-2-yl 3-aminobenzoate
- English name
- Isopropyl 3-aminobenzoate
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
isopropyl 3-aminobenzoate35005-25-5propan-2-yl 3-aminobenzoateMFCD07601158Isopropyl3-aminobenzoate1-methylethyl 3-aminobenzoateNSC39587SCHEMBL8930000DTXSID70284890BBL009462NSC-39587STK345044
Show more names
AKOS BB-7961ASISCHEM C75342ZERENEX E/5111118CHEMBRDG-BB 4024620UKRORGSYN-BB BBV-182399isopropyl 3-aminobenzoate(SALTDATA: FREE)Benzoic acid, 3-amino-, 1-methylethyl ester
AKOS000108602DS-5257Benzoic acid, 3-amino-, isopropyl esterSY082031DB-265301CS-0154176D70742AP-970/43374053
Database identifiers
- CAS
35005-25-5- PubChem CID
- 236743
- DTXSID
DTXSID70284890
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Appearance
- Light brown to brown Liquid
- 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
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
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Related reactions
3 records
Compound notes
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