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N-Phenylaza-15-crown-5

N-Phenylaza-15-crown-5 structure

CAS No:
66750-10-5
Formula:
C16H25NO4
Chemical Name:
N-Phenylaza-15-crown-5
Synonyms:
1,4,7,10-Tetraoxa-13-azacyclopentadecane,13-phenyl-;13-Phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane;N-Phenylaza-15-crown-5;1-N-Phenylaza-15-crown-5;N-Phenylaza-15-crown-5;1-Phenyl-4,7,10,13-tetraoxa-1-azacyclopentadecane
Categories:
Chemical Reagents > Organic Reagents

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Description

White to pale brown crystalline powder

N-Phenylaza-15-crown-5 Basic Attributes

Molecular Weight：

295.37

Exact Mass：

295.37

EC Number：

266-470-6

DSSTox ID：

DTXSID40216885

HScode：

2934999090

Characteristics

PSA：

40.2

XLogP3：

0.95

Appearance：

yellow solid

Density：

1.0±0.1 g/cm3

Melting Point：

44-45 °C

Boiling Point：

449.1±45.0 °C at 760 mmHg

Flash Point：

133.3±25.9 °C

Refractive Index：

1.476

Water Solubility：

>44.3 [ug/mL]

Safety Information

hazard class code：

36/37/38

safety instructions：

24/25

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:295.37
XLogP3:0.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:295.17835828
Monoisotopic Mass:295.17835828
Topological Polar Surface Area:40.2
Heavy Atom Count:21
Complexity:230
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes