5-Hydroxytryptophol

HCID 9061
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Basic information

CAS
154-02-9
Standard SMILES
OCCc1c[nH]c2ccc(O)cc12
InChIKey
KQROHCSYOGBQGJ-UHFFFAOYSA-N
Molecular formula
C10H11NO2
Average molar mass
177.2 g/mol
Monoisotopic mass
177.07897859

Names & identifiers

Preferred name
5-Hydroxytryptophol
IUPAC
3-(2-hydroxyethyl)-1H-indol-5-ol
English name
5-HYDROXYTRYPTOPHOL
Molecular formula
C10H11NO2
Molecular weight
177.2

Names & synonyms

5-Hydroxytryptophol154-02-93-(2-Hydroxyethyl)-1H-indol-5-olHydroxytryptophol5-Hydroxy-1H-indole-3-ethanol5-Hydroxyindole-3-ethanol1H-Indole-3-ethanol, 5-hydroxy-INDOLE-3-ETHANOL, 5-HYDROXY-5-hydroxy-3-(2-hydroxyethyl)indole52MNE52QA1DTXSID80165505NSC-84416
Show more names
3-(2-Hydroxyethyl)2H8]-5-Hydroxytryptophol5-hydroxy-indole-3-ethano5-HYDROXYTRYPTOPHOL(5OHIEt)5-Hydroxytrytophol (5OHIEt)
RefChem:389054DTXCID5087996205-820-45-Hydroxy TryptopholNSC 84416MFCD00047197UNII-52MNE52QA1SCHEMBL233744

Database identifiers

CAS
154-02-9
PubChem CID
9061
DTXSID
DTXSID80165505
ChEMBL
CHEMBL5858440
ChEBI
CHEBI:89825
UNII
52MNE52QA1
EC Number
205-820-4
Nikkaji
J64.787J

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
56.3 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
13

Experimental & physicochemical properties

Physical DescriptionSolid
Collision Cross Section138.7 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]；134.49 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Physicochemical properties

Melting point
111 · 111-113°
Boiling point
435.2 · 435.2±30.0 °C(Predicted)
Density
1.356 · 1.356±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

Safety data

wgk
WGK 3
rtecs
NL8512500
hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids

Chemistry & industry

Applications

UsesA metabolite of Tryptophan (T947200).

Upstream & downstream products

Suppliers47 total

盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: 5-Hydroxytryptophol is a member of indoles.

Related reactions

6 records
New reaction record

Compound notes

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