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4-Morpholinobenzonitrile

4-Morpholinobenzonitrile structure

CAS No:
10282-31-2
Formula:
C11H12N2O
Chemical Name:
4-Morpholinobenzonitrile
Synonyms:
Benzonitrile,4-(4-morpholinyl)-;Benzonitrile,p-morpholino-;4-(4-Morpholinyl)benzonitrile;4-(4-Cyanophenyl)morpholine;N-(4-Cyanophenyl)morpholine;4-(Morpholin-4-yl)benzonitrile;4-Morpholinobenzonitrile;NSC 698610

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4-Morpholinobenzonitrile Basic Attributes

Molecular Weight：

188.23

Exact Mass：

188.23

NSC Number：

698610

DSSTox ID：

DTXSID10327876

Characteristics

PSA：

36.3 Å²

Density：

1.17±0.1 g/cm3

Melting Point：

65-66 °C

Boiling Point：

371.7±37.0 °C(Predicted)

Water Solubility：

Soluble in water.

PKA：

1.69±0.40

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:188.23
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:188.094963011
Monoisotopic Mass:188.094963011
Topological Polar Surface Area:36.3
Heavy Atom Count:14
Complexity:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Morpholinobenzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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