2-Butanol, 1-(3-methoxypropyl)amino-3-phenoxy-
Basic information
- CAS
7565-15-3- Standard SMILES
COCCCNCC(O)C(C)Oc1ccccc1- InChIKey
GGNGMTHUWLMRPQ-UHFFFAOYSA-N- Molecular formula
- C14H23NO3
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.1677936
Names & identifiers
- Preferred name
- 2-Butanol, 1-(3-methoxypropyl)amino-3-phenoxy-
- IUPAC
- 1-(3-methoxypropylamino)-3-phenoxybutan-2-ol
- English name
- SAS-513 hydrochloride
- Molecular formula
- C14H23NO3
- Molecular weight
- 253.33732
Names & synonyms
SAS 5137565-15-32-BUTANOL, 1-(3-METHOXYPROPYL)AMINO-3-PHENOXY-RefChem:2577481-[(3-Methoxypropyl)amino]-3-phenoxybutan-2-olSCHEMBL21792810DTXSID60997088SAS-513 hydrochloride
Database identifiers
- CAS
7565-15-3- PubChem CID
- 24221
- DTXSID
DTXSID60997088- Nikkaji
- J384.126J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 195
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Compound notes
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