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[(Dimethylamino)methylene]propanedinitrile

[(Dimethylamino)methylene]propanedinitrile structure

CAS No:
16849-88-0
Formula:
C6H7N3
Chemical Name:
[(Dimethylamino)methylene]propanedinitrile
Synonyms:
Propanedinitrile,2-[(dimethylamino)methylene]-;Malononitrile,[(dimethylamino)methylene]-;Propanedinitrile,[(dimethylamino)methylene]-;2-[(Dimethylamino)methylene]propanedinitrile;[(Dimethylamino)methylene]malononitrile;[(Dimethylamino)methylene]propanedinitrile;NSC 168421;2-[(Dimethylamino)methylidene]propanedinitrile;2-(Dimethylaminomethylidene)propanedinitrile
Categories:
Organic Chemistry > Amides

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Description

Green Solid

[(Dimethylamino)methylene]propanedinitrile Basic Attributes

Molecular Weight：

121.14

Exact Mass：

121.14

EC Number：

240-873-7

UNII：

9VE2L03HB0

NSC Number：

168421

DSSTox ID：

DTXSID40168572

HScode：

29269095

Characteristics

PSA：

50.8

XLogP3：

0.47906

Density：

1.0556 (rough estimate)

Melting Point：

82-83 °C

Boiling Point：

155-160 °C @ Press: 0.3 Torr

Flash Point：

209.1ºC

Refractive Index：

1.4690 (estimate)

Safety Information

wgk germany：

hazard class code：

20/21/22

safety instructions：

RTECS Number：

OO3746000

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:121.14
XLogP3:0.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:121.063997236
Monoisotopic Mass:121.063997236
Topological Polar Surface Area:50.8
Heavy Atom Count:9
Complexity:189
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(Dimethylamino)methylene]propanedinitrile

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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[(Dimethylamino)methylene]propanedinitrile

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