N-(2-(1H-indol-3-yl)ethyl)benzamide

HCID 684658
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Basic information

CAS
4753-09-7
Standard SMILES
O=C(NCCc1c[nH]c2ccccc12)c1ccccc1
InChIKey
KTEDBFKQSUUOQJ-UHFFFAOYSA-N
Molecular formula
C17H16N2O
Average molar mass
264.32 g/mol
Monoisotopic mass
264.12626313

Names & identifiers

Preferred name
N-(2-(1H-indol-3-yl)ethyl)benzamide
IUPAC
N-[2-(1H-indol-3-yl)ethyl]benzamide
English name
N-(2-Indol-3-ylethyl)benzamide
Molecular formula
C17H16N2O
Molecular weight
264.32

Names & synonyms

N-[2-(1H-indol-3-yl)ethyl]benzamide4753-09-7N-(2-(1H-indol-3-yl)ethyl)benzamideDTXSID601103639RefChem:1090911DTXCID401535319N-(2-indol-3-ylethyl)benzamiden-benzoyltryptamineMFCD00245135Oprea1_089334MLS001183962CHEMBL552178
Show more names
N - (2-Indole-3-ylethyl) benzamideBenzamide, N-[2-(1H-indol-3-yl)ethyl]-
SCHEMBL4331421KTEDBFKQSUUOQJ-UHFFFAOYSA-NHMS2849E14EBC-13435SBB002219STK036194AKOS001713937CCG-279032

Database identifiers

CAS
4753-09-7
PubChem CID
684658
DTXSID
DTXSID601103639
ChEMBL
CHEMBL552178
Nikkaji
J1.329.106C

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
44.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
20

Experimental & physicochemical properties

Solubility34.7 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
135 · 135-137°C
Boiling point
558.3 · 558.3±33.0 °C(Predicted)
Density
1.204 · 1.204±0.06 g/cm3(Predicted)
pka
14.87 · 14.87±0.46(Predicted)
Cosmetics Ingredients Functions
SKIN CONDITIONING - MISCELLANEOUSSKIN PROTECTINGANTIOXIDANT
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Suppliers10 total

无锡恩桥医药科技有限公司+8613812269233 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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