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3-(Hexahydro-1H-azepin-1-yl)-1-(4-propoxyphenyl)-1-propanone

3-(Hexahydro-1H-azepin-1-yl)-1-(4-propoxyphenyl)-1-propanone structure

CAS No:
16689-12-6
Formula:
C18H27NO2
Chemical Name:
3-(Hexahydro-1H-azepin-1-yl)-1-(4-propoxyphenyl)-1-propanone
Synonyms:
1-Propanone,3-(hexahydro-1H-azepin-1-yl)-1-(4-propoxyphenyl)-;Propiophenone,3-(hexahydro-1H-azepin-1-yl)-4′-propoxy-;3-(Hexahydro-1H-azepin-1-yl)-1-(4-propoxyphenyl)-1-propanone;Hexacaine;50807-02-8

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3-(Hexahydro-1H-azepin-1-yl)-1-(4-propoxyphenyl)-1-propanone Basic Attributes

Molecular Weight：

289.41200

Exact Mass：

289.41

DSSTox ID：

DTXSID40168198

HScode：

2933990090

Characteristics

PSA：

29.54000

XLogP3：

3.86210

Density：

1.012g/cm3

Boiling Point：

426.2ºC at 760 mmHg

Flash Point：

211.6ºC

Refractive Index：

1.514

Vapor Pressure：

1.8E-07mmHg at 25°C

Drug Information

MeSH Entry Terms：

hexacaine

Computed Properties

Molecular Weight:289.4
XLogP3:3.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:289.204179104
Monoisotopic Mass:289.204179104
Topological Polar Surface Area:29.5
Heavy Atom Count:21
Complexity:290
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Hexahydro-1H-azepin-1-yl)-1-(4-propoxyphenyl)-1-propanone

Basic Attributes
Characteristics
Drug Information
Computed Properties

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