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1-(1H-Indol-3-yl)-1-butanone

1-(1H-Indol-3-yl)-1-butanone structure

CAS No:
22582-67-8
Formula:
C12H13NO
Chemical Name:
1-(1H-Indol-3-yl)-1-butanone
Synonyms:
1-Butanone,1-(1H-indol-3-yl)-;1-Butanone,1-indol-3-yl-;1-(1H-Indol-3-yl)-1-butanone;3-Butyrylindole;3-Butyryl-1H-indole;NSC 82297

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1-(1H-Indol-3-yl)-1-butanone Basic Attributes

Molecular Weight：

187.24

Exact Mass：

187.24

EC Number：

245-103-3

NSC Number：

82297

DSSTox ID：

DTXSID60177106

Characteristics

PSA：

32.9 Å²

Density：

1.125±0.06 g/cm3

Melting Point：

169 °C

Boiling Point：

354.1±15.0 °C(Predicted)

PKA：

15.54±0.30

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:187.24
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:187.099714038
Monoisotopic Mass:187.099714038
Topological Polar Surface Area:32.9
Heavy Atom Count:14
Complexity:214
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(1H-Indol-3-yl)-1-butanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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