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6-Chloromelatonin

6-Chloromelatonin structure

CAS No:
63762-74-3
Formula:
C13H15ClN2O2
Chemical Name:
6-Chloromelatonin
Synonyms:
Acetamide,N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]-;N-[2-(6-Chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide;6-Chloromelatonin;582319-70-8
Categories:
Organic Chemistry > Amides

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Description

N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide is a member of acetamides.

6-Chloromelatonin Basic Attributes

Molecular Weight：

266.72

Exact Mass：

266.72

DSSTox ID：

DTXSID30213202

HScode：

2933990090

Characteristics

PSA：

54.1

XLogP3：

2.89940

Density：

1.272g/cm3

Melting Point：

147-148 °C

Boiling Point：

536.7ºC at 760 mmHg

Flash Point：

278.4ºC

Refractive Index：

1.608

Water Solubility：

alcohol: soluble

Storage Conditions：

2-8°C

Safety Information

wgk germany：

hazard class code：

60-23/24/25-36/37/38

safety instructions：

53-26-36/37/39-45

RTECS Number：

AB5750000

Marks：

Precautionary statement(s)：

P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

6-chloromelatonin

Computed Properties

Molecular Weight:266.72
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:266.0822054
Monoisotopic Mass:266.0822054
Topological Polar Surface Area:54.1
Heavy Atom Count:18
Complexity:301
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes