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152766-93-3 molecular structure
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N-[2-(1H-indol-1-yl)ethyl]tricosanamide

ChemBase ID: 157304
Molecular Formular: C33H56N2O
Molecular Mass: 496.81054
Monoisotopic Mass: 496.43926442
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCCCCCCC(=O)NCCn1ccc2c1cccc2
Canonical SMILES:
CCCCCCCCCCCCCCCCCCCCCCC(=O)NCCn1ccc2c1cccc2
InChI:
InChI=1S/C33H56N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33(36)34-28-30-35-29-27-31-24-22-23-25-32(31)35/h22-25,27,29H,2-21,26,28,30H2,1H3,(H,34,36)
InChIKey:
BVLPUXWTTMJZDO-UHFFFAOYSA-N

Cite this record

CBID:157304 http://www.chembase.cn/molecule-157304.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(1H-indol-1-yl)ethyl]tricosanamide
IUPAC Traditional name
N-[2-(indol-1-yl)ethyl]tricosanamide
Synonyms
TAT
N-Tricosanoyltryptamine
N-[2-(3-Indolyl)ethyl]tricosanamide
Tricosanoic acid tryptamide
N-[2-(3-吲哚基)乙基]二十三酰胺
二十三酰色胺
二十三酸色酰胺
CAS Number
152766-93-3
MDL Number
MFCD07366643
PubChem SID
24880487
162251441
PubChem CID
16217242

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
56924 external link Add to cart Please log in.
Data Source Data ID
PubChem 16217242 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.220032  H Acceptors
H Donor LogD (pH = 5.5) 10.909455 
LogD (pH = 7.4) 10.909456  Log P 10.909456 
Molar Refractivity 156.0817 cm3 Polarizability 62.918705 Å3
Polar Surface Area 34.03 Å2 Rotatable Bonds 24 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
116-120 °C expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% (HPLC) expand Show data source
Grade
analytical standard, for food analysis expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Empirical Formula (Hill Notation)
C33H56N2O expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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