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1-[2-(Hexahydro-1H-azepin-1-yl)-2-oxoethyl]-1H-indole-3-carboxaldehyde

1-[2-(Hexahydro-1H-azepin-1-yl)-2-oxoethyl]-1H-indole-3-carboxaldehyde structure

CAS No:
436087-09-1
Formula:
C17H20N2O2
Chemical Name:
1-[2-(Hexahydro-1H-azepin-1-yl)-2-oxoethyl]-1H-indole-3-carboxaldehyde
Synonyms:
1H-Indole-3-carboxaldehyde,1-[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]-;1H-Azepine,1-[(3-formyl-1H-indol-1-yl)acetyl]hexahydro-;1-[2-(Hexahydro-1H-azepin-1-yl)-2-oxoethyl]-1H-indole-3-carboxaldehyde

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1-[2-(Hexahydro-1H-azepin-1-yl)-2-oxoethyl]-1H-indole-3-carboxaldehyde Basic Attributes

Molecular Weight：

284.35

Exact Mass：

284.35

DSSTox ID：

DTXSID30351911

Characteristics

PSA：

42.3

XLogP3：

2.79430

Density：

1.2g/cm3

Boiling Point：

512.8ºC at 760mmHg

Flash Point：

263.9ºC

Refractive Index：

1.616

Water Solubility：

>42.7 [ug/mL]

Computed Properties

Molecular Weight:284.35
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:284.152477885
Monoisotopic Mass:284.152477885
Topological Polar Surface Area:42.3
Heavy Atom Count:21
Complexity:377
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[2-(Hexahydro-1H-azepin-1-yl)-2-oxoethyl]-1H-indole-3-carboxaldehyde

Basic Attributes
Characteristics
Computed Properties

1-[2-(Hexahydro-1H-azepin-1-yl)-2-oxoethyl]-1H-indole-3-carboxaldehyde

SDS

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