ST039075

HCID 560296

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Basic information

CAS: 445471-65-8
Standard SMILES: OCCCNCC(O)COc1ccccc1
InChIKey: MSQWBLUPIPSXPC-UHFFFAOYSA-N
Molecular formula: C12H19NO3
Average molar mass: 225.28 g/mol
Monoisotopic mass: 225.13649347

Names & identifiers

Preferred name: ST039075
IUPAC: 1-(3-hydroxypropylamino)-3-phenoxypropan-2-ol

Names & synonyms

445471-65-8ST039075DTXSID10339954RefChem:381355DTXCID802910353-[(2-hydroxy-3-phenoxypropyl)amino]propan-1-ol1-Propanol, 3-[(2-hydroxy-3-phenoxypropyl)amino]-CHEMBL4542969SCHEMBL21775559MSQWBLUPIPSXPC-UHFFFAOYSA-NSTK678458AKOS005361119

Show more names

3-(2-Hydroxy-3-phenoxy-propylamino)-propan-1-olSR-01000537890SR-01000537890-13-[(2-Hydroxy-3-phenoxypropyl)amino]-1-propanol #

Database identifiers

CAS: 445471-65-8
PubChem CID: 560296
DTXSID: DTXSID10339954
ChEMBL: CHEMBL4542969
Nikkaji: J2.132.783B

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 61.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 16
Formal charge: 0
Complexity: 160

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