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1-Pyrrolidinebutanenitrile

1-Pyrrolidinebutanenitrile structure

1-Pyrrolidinebutanenitrile 

structure
  • CAS No:

    35543-25-0

  • Formula:

    C8H14N2

  • Chemical Name:

    1-Pyrrolidinebutanenitrile

  • Synonyms:

    1-Pyrrolidinebutanenitrile;1-Pyrrolidinebutyronitrile;4-Pyrrolidinobutyronitrile;4-(1-Pyrrolidinyl)butyronitrile;4-(Pyrrolidin-1-yl)butanenitrile

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

1-Pyrrolidinebutanenitrile Basic Attributes

138.21

138.21

252-612-4

DTXSID90189035

2933990090

Characteristics

27.03000

1.32388

clear liquid

0.926 g/mL at 25 °C (lit.)

115 °C @ Press: 18 Torr

99ºC

n20/D 1.46(lit.)

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

9.93±0.20

Safety Information

I; II; III

IRRITANT

3276

3

20/21/22-36/37/38

26-37/39-36/37/39-36

UY0270000

Xn

Stable under normal temperatures and pressures.

P261; P280; P305 + P351 + P338

H302; H312; H315; H319; H332; H335

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:138.21
XLogP3:0.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:138.115698455
Monoisotopic Mass:138.115698455
Topological Polar Surface Area:27
Heavy Atom Count:10
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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