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3-MORPHOLIN-4-YLBENZONITRILE

3-MORPHOLIN-4-YLBENZONITRILE structure

CAS No:
204078-31-9
Formula:
C11H12N2O
Chemical Name:
3-MORPHOLIN-4-YLBENZONITRILE
Synonyms:
4-(3-Cyanophenyl)morpholine;3-(4-Morpholinyl)Benzonitrile;3-morpholinobenzonitrile;3-(Morpholin-4-yl)benzonitrile97%;3-MORPHOLIN-4-YLBENZONITRILE;Benzonitrile, 3-(4-morpholinyl)-

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3-MORPHOLIN-4-YLBENZONITRILE Basic Attributes

Molecular Weight：

188.23

Exact Mass：

188.094963011

DSSTox ID：

DTXSID70427629

HScode：

2934999090

Characteristics

PSA：

36.26000

XLogP3：

1.45988

Density：

1.17±0.1 g/cm3

Melting Point：

240 °C

Boiling Point：

352.6±37.0 °C(Predicted)

Flash Point：

167ºC

Refractive Index：

1.583

Vapor Pressure：

3.8E-05mmHg at 25°C

PKA：

3.15±0.40

Safety Information

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:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-MORPHOLIN-4-YLBENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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