Basic information
- CAS
82590-42-9- Standard SMILES
COc1cccc(CC(N)CCCO)c1- InChIKey
YTTSVMGQGZDSFO-UHFFFAOYSA-N- Molecular formula
- C12H19NO2
- Average molar mass
- 209.28 g/mol
- Monoisotopic mass
- 209.14157885
Names & identifiers
- Preferred name
- Benzenepentanol, delta-amino-3-methoxy-
- IUPAC
- 4-amino-5-(3-methoxyphenyl)pentan-1-ol
- English name
- Benzenepentanol, δ-amino-3-methoxy-
- Molecular formula
- C12H19NO2
- Molecular weight
- 209.28
Names & synonyms
82590-42-9Benzenepentanol, delta-amino-3-methoxy-RefChem:10785754-amino-5-(3-methoxyphenyl)pentan-1-ol4-Amino-5-(m-methoxyphenyl)pentan-1-oldelta-Amino-3-methoxybenzenepentanolNSC 304582BRN 4408991NSC304582HDA59042NSC-304582DS-014840
Show more names
Benzenepentanol, δ-amino-3-methoxy-
Database identifiers
- CAS
82590-42-9- PubChem CID
- 99993
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 336 · 336.0±32.0 °C(Predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
- pka
- 15.1 · 15.10±0.10(Predicted)
Chemistry & industry
Applications
Uses4-Amino-5-(3-methoxyphenyl)pentan-1-ol is used in the preparation, cyclization, and pharmacological activity of hexahydropyrrolo[1,2-b]isoquinolines, which are analogs of phenanthroindolizidine anticancer alkaloids.
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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