Basic information
- CAS
18595-13-6- Standard SMILES
COC(=O)c1c(C)cccc1N- InChIKey
HCLLOQLXKCCWLJ-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- Benzoic acid, 2-amino-6-methyl-, methyl ester
- IUPAC
- methyl 2-amino-6-methylbenzoate
- English name
- 2-Amino-6-methylbenzoic acid methyl ester
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
Benzoic acid, 2-amino-6-methyl-, methyl esterRefChem:565519Methyl 2-amino-6-methylbenzoate18595-13-62-amino-6-methylbenzoic acid methyl ester2-AMINO-6-METHYL-BENZOIC ACID METHYL ESTERMFCD11505989methyl 6-methylanthranilateMethyl 6-amino-2-methylbenzoateSCHEMBL543900Methyl2-amino-6-methylbenzoatemethyl 2-methyl-6-aminobenzoate
Show more names
Methyl 6-methylanthranilate, Methyl 6-amino-o-toluate
DTXSID70342702methyl 2-amino-6-methyl-benzoateMethyl 2-amino-6-methylbenzoate #TAA59513CL9113AKOS022176112SB34630DS-12560
Database identifiers
- CAS
18595-13-6- PubChem CID
- 583916
- DTXSID
DTXSID70342702- EC Number
- 809-203-6
- Nikkaji
- J82.774F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 257.2 · 257.2±20.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 2.32 · 2.32±0.10(Predicted)
- Appearance
- Light yellow to yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- 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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers92 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
杭州品高化工有限公司
Related reactions
17 records
Compound notes
Loading…