Basic information
- CAS
35613-44-6- Standard SMILES
COC(=O)Cc1ccccc1N- InChIKey
BWQBYHGDMBHIIQ-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- Methyl 2-aminobenzeneacetate
- IUPAC
- methyl 2-(2-aminophenyl)acetate
- English name
- Methyl (2-amino-phenyl)-acetate
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
35613-44-6RefChem:1089320Methyl 2-aminobenzeneacetateMethyl 2-(2-aminophenyl)acetateMETHYL (2-AMINO-PHENYL)-ACETATEMFCD04973395methyl 2-aminophenylacetatemethyl (2-aminophenyl)acetateBENZENEACETIC ACID, 2-AMINO-, METHYL ESTER(2-aminophenyl)acetic acid methyl ester2-AMINOPHENYLACETIC ACID METHYL ESTERo-methoxycarbonylm
Show more names
Methyl 2-(2-aminophenyl)1H-Pyrrole-2,5-dione,5-methyl-
o-methoxycarbonylmethylanilineSCHEMBL644296SCHEMBL277943842-amino phenylacetic methyl esterDTXSID60420881BWQBYHGDMBHIIQ-UHFFFAOYSA-NMethyl 2-aminophenylacetate, 97%AKOS000297698
Database identifiers
- CAS
35613-44-6- PubChem CID
- 5743389
- DTXSID
DTXSID60420881- Nikkaji
- J2.795.291G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 277.5 · 277.5±15.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- 3.39 · 3.39±0.10(Predicted)
- InChI
- InChI=1S/C9H11NO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6,10H2,1H3
- InChIKey
- BWQBYHGDMBHIIQ-UHFFFAOYSA-N
- SMILES
- C1(CC(OC)=O)=CC=CC=C1N
- HS Code
- 2922498590 · 2922498590
Safety & regulation
Safety data
- hs_code
- 2922498590
Chemistry & industry
Applications
UsesMethyl 2-(2-aminophenyl)acetate is used as an intermediate in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers71 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
上海策嵘生物科技有限公司[email protected]
Related reactions
16 records
Compound notes
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