Basic information
- CAS
21339-74-2- Standard SMILES
COC(=O)c1cc(C)c(N)cc1C- InChIKey
VXKXKISPMWOIKB-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- Methyl 4-amino-2,5-dimethylbenzoate
- IUPAC
- methyl 4-amino-2,5-dimethylbenzoate
- English name
- Methyl 4-amino-2,5-dimethylbenzoate
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
methyl 4-amino-2,5-dimethylbenzoateDTXSID40297836RefChem:816114DTXCID30248973832-188-221339-74-2MFCD09839220methyl 4-amino-2,5-dimethylbenzoateBenzoic acid, 4-amino-2,5-dimethyl-, methyl esterMethyl4-amino-2,5-dimethylbenzoateNSC118434SCHEMBL274700
Show more names
Methyl 4-amino-2,5-dimethylbenzoate 95+%4-Amino-2,5-dimethylbenzoic acid methyl ester
VXKXKISPMWOIKB-UHFFFAOYSA-NAKOS006328780methyl 4-amino-2,5-dimethyl-benzoateDS-6127NSC 118434NSC-118434SY111393DB-066483
Database identifiers
- CAS
21339-74-2- PubChem CID
- 273299
- DTXSID
DTXSID40297836- EC Number
- 832-188-2
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Appearance
- Yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- HS Code
- 2922498590 · 2922498590
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Suppliers44 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Changzhou Helios Biomedical Science and Technology Co.,LTD.+8618961213068;+8618961100976 · [email protected]
Aceschem Inc.
Related reactions
11 records
Compound notes
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