Completing data — usually done within a minute
Basic information
- CAS
478837-37-5- Standard SMILES
COC(=O)c1cc(C)c(N)cc1C.Cl- InChIKey
XKOPHGIEHFQEGD-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO2
- Average molar mass
- 215.67 g/mol
- Monoisotopic mass
- 215.0713064
Names & identifiers
- Preferred name
- Methyl 4-amino-2,5-dimethylbenzoate hydrochloride
- IUPAC
- methyl 4-amino-2,5-dimethylbenzoate;hydrochloride
Names & synonyms
478837-37-5methyl 4-amino-2,5-dimethylbenzoate hydrochlorideSCHEMBL5417457XKOPHGIEHFQEGD-UHFFFAOYSA-NBenzoic acid, 4-amino-2,5-dimethyl-, methyl ester, hydrochloride (1:1)DB-402459EN300-8789155methyl 4-amino-2,5-dimethylbenzoate monohydrochlorideZ5209507577
Database identifiers
- CAS
478837-37-5- PubChem CID
- 22933657
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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