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Boc-L-Ala-nitrile

Boc-L-Ala-nitrile structure

Boc-L-Ala-nitrile 

structure
  • CAS No:

    130013-83-1

  • Formula:

    C8H14N2O2

  • Chemical Name:

    Boc-L-Ala-nitrile

  • Synonyms:

    (S)-N-BOC-ALANINE-NITRILE;N-[(1S)-1-Cyanoethyl]-carbamic acid 1,1-dimethylethyl ester;BOC-L-ALA-NITRILE;Boc-Ala-Nitrile;Carbamic acid, [(1S)-1-cyanoethyl]-, 1,1-dimethylethyl ester (9CI);(S)-tert-butyl 1-cyanoethylcarbamate;Boc-L-Ala-Nitrile Or (S)-Tert-Butyl1-CyanoethylcarbaMate;tert-butyl N-[(1S)-1-cyanoethyl]carbaMate

  • Categories:

    Chemical Reagents  >  Organic Reagents

Boc-L-Ala-nitrile Basic Attributes

170.21

170.10600

2926909090

Characteristics

62.12000

1.81408

1.021

105-108°C

277°C

121°C

Safety Information

|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:170.21
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:170.105527694
Monoisotopic Mass:170.105527694
Topological Polar Surface Area:62.1
Heavy Atom Count:12
Complexity:209
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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