Basic information
- CAS
21447-47-2- Standard SMILES
Cc1ccc(C(=O)OC(C)C)cc1N- InChIKey
NQIWSFLRVNIRJU-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- Isopropyl 3-amino-4-methylbenzoate
- IUPAC
- propan-2-yl 3-amino-4-methylbenzoate
- English name
- Isopropyl 3-amino-4-methyl benzoate
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
Isopropyl 3-amino-4-methylbenzoate21447-47-2EINECS 244-393-9DTXSID201757241-Methylethyl 3-amino-4-methylbenzoateRefChem:792135DTXCID0098215244-393-9propan-2-yl 3-amino-4-methylbenzoateISOPROPYL 3-AMINO-4-METHYL BENZOATEZSB7PA8JTSSCHEMBL10784992
Show more names
Isopropyl-3-amino-4-methylbenzoatSOPROPYL 3-AMINO-4-METHYL BENZOATE3-amino-4-methyl-2-propan-2-ylbenzoate3 AMINO 4 METHYL BENZOIC ACID ISOPROYL ESTER3-AMINO-4-CHLOROBENZOIC ACID ISOPROPYL ESTER3-Amino-4-Methyl Benzoic Acid Isopropyl Ester3-Amino-4-methylbenzoic acid 1-methylethyl ester
NQIWSFLRVNIRJU-UHFFFAOYSA-NAKOS009166003DB-045588NS00026874Benzoic acid, 3-amino-4-methyl-, 1-methylethyl ester
Database identifiers
- CAS
21447-47-2- PubChem CID
- 88907
- DTXSID
DTXSID20175724- UNII
- ZSB7PA8JTS
- EC Number
- 244-393-9
- Nikkaji
- J226.208H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 317.3 · 317.3±22.0 °C(Predicted)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- pka
- 3.4 · 3.40±0.10(Predicted)
- CAS DataBase Reference
- 21447 · 21447-47-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · 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.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Suppliers31 total
格林斯柏生物科技（江苏）有限公司0523-87726088 13705266400 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
亚化进出口（江苏）有限公司+8615105181882 · [email protected]
河北朵放科技有限公司13127301785 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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