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1-(4-Aminophenyl)-1-hexanone

1-(4-Aminophenyl)-1-hexanone structure

CAS No:
38237-76-2
Formula:
C12H17NO
Chemical Name:
1-(4-Aminophenyl)-1-hexanone
Synonyms:
1-Hexanone,1-(4-aminophenyl)-;Hexanophenone,4′-amino-;1-(4-Aminophenyl)-1-hexanone;4′-Aminocaprophenone

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1-(4-Aminophenyl)-1-hexanone Basic Attributes

Molecular Weight：

191.274

Exact Mass：

191.27

DSSTox ID：

DTXSID40191628

HScode：

2922399090

Characteristics

PSA：

43.1

XLogP3：

3.61300

Density：

1.01g/cm3

Melting Point：

95.0-95.5 °C

Boiling Point：

344.3ºC at 760 mmHg

Flash Point：

162ºC

Refractive Index：

1.536

Toxicity：

Oral-rat LD50: 216 mg/kg; Oral-Mouse LD50: 299 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide fumes

Safety Information

Hazard category：

6.1

Transport codes：

2811

RTECS Number：

MP4450000

Storage features：

Warehouse ventilated, low temperature and dry

Precautionary statement(s)：

P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

4-aminohexanoylphenone

Computed Properties

Molecular Weight:191.27
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:191.131014166
Monoisotopic Mass:191.131014166
Topological Polar Surface Area:43.1
Heavy Atom Count:14
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-Aminophenyl)-1-hexanone

Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Computed Properties

1-(4-Aminophenyl)-1-hexanone

SDS

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