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87472-24-0 | 1,3-Propanediol, 1-(phenylamino)-
CAS No: 87472-24-0 Catalog No: AG004FNU MDL No:
Product Description
Catalog Number:
AG004FNU
Chemical Name:
1,3-Propanediol, 1-(phenylamino)-
CAS Number:
87472-24-0
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
1-anilinopropane-1,3-diol
InChI:
InChI=1S/C9H13NO2/c11-7-6-9(12)10-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2
InChI Key:
PHHVNSFZTKCGOE-UHFFFAOYSA-N
SMILES:
OCCC(Nc1ccccc1)O
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Endocytosis and intracellular trafficking of fatty acid esters of phenylaminopropanediol, the putative etiologic agents of the toxic oil syndrome (TOS). | Toxicology letters 20060601 |
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