Basic information
- CAS
168405-44-5- Standard SMILES
COc1cc(C)c(CN)cc1C- InChIKey
GWARODYNRGXROB-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- 4-Methoxy-2,5-dimethylbenzylamine
- IUPAC
- (4-methoxy-2,5-dimethylphenyl)methanamine
- English name
- 4-METHOXY-2,5-DIMETHYLBENZYLAMINE
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
4-METHOXY-2,5-DIMETHYLBENZYLAMINE168405-44-5(4-methoxy-2,5-dimethylphenyl)methanamine1-(4-Methoxy-2,5-dimethylphenyl)methanamineDTXSID60695370AKOS0062856964-Methoxy-2,5-dimethylbenzenemethanamineBenzenemethanamine, 4-methoxy-2,5-dimethyl-
Database identifiers
- CAS
168405-44-5- PubChem CID
- 53404355
- DTXSID
DTXSID60695370
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 268.1 · 268.1±35.0 °C(Predicted)
- Density
- 0.995 · 0.995±0.06 g/cm3(Predicted)
- pka
- 9.55 · 9.55±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
赛纳斯特化学（欢迎点击联系）021-60343070
北京蓝博中兴科技有限公司010-56330744 15210344275 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…