Basic information
- CAS
18595-32-9- Standard SMILES
COC(=O)c1ccc(C)c(N(CCO)CCO)c1- InChIKey
YTXWVEKQZDTPIF-UHFFFAOYSA-N- Molecular formula
- C13H19NO4
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.13140809
Names & identifiers
- Preferred name
- Methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate
- IUPAC
- methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate
Names & synonyms
methyl 3-[bis(2-hydroxyethyl)amino]-4-methylbenzoate18595-32-9MLS000061631SMR000069962NSC356833TimTec1_006377Oprea1_732213Oprea1_828947cid_337779CHEMBL1402770BDBM56153DTXSID00320270
Show more names
HMS1552B19HMS2459J07HTS12871AKOS000601853NSC-356833ST060634methyl 3-[bis(2-hydroxyethyl)amino]-4-methyl-benzoate3-[bis(2-hydroxyethyl)amino]-4-methylbenzoic acid methyl ester
Database identifiers
- CAS
18595-32-9- PubChem CID
- 337779
- DTXSID
DTXSID00320270- ChEMBL
CHEMBL1402770
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…