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4-[Bis(1-methylethyl)amino]butanenitrile

4-[Bis(1-methylethyl)amino]butanenitrile structure

CAS No:
13858-50-9
Formula:
C10H20N2
Chemical Name:
4-[Bis(1-methylethyl)amino]butanenitrile
Synonyms:
Butanenitrile,4-[bis(1-methylethyl)amino]-;Butyronitrile,4-(diisopropylamino)-;4-[Bis(1-methylethyl)amino]butanenitrile;NSC 76610

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4-[Bis(1-methylethyl)amino]butanenitrile Basic Attributes

Molecular Weight：

168.27900

Exact Mass：

168.28

EC Number：

237-593-2

NSC Number：

76610

DSSTox ID：

DTXSID20160716

Characteristics

PSA：

27.03000

XLogP3：

2.40898

Density：

0.863g/cm3

Boiling Point：

124-127 °C @ Press: 33 Torr

Flash Point：

87.1ºC

Refractive Index：

1.445

Vapor Pressure：

0.029mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:168.28
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:168.162648646
Monoisotopic Mass:168.162648646
Topological Polar Surface Area:27
Heavy Atom Count:12
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[Bis(1-methylethyl)amino]butanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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