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Home > Encyclopedia > Alanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]- (9CI)

Alanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]- (9CI)

Alanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]- (9CI) structure

Alanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]- (9CI) 

structure
  • CAS No:

    229028-67-5

  • Formula:

    C9H14N2O4

  • Chemical Name:

    Alanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]- (9CI)

  • Synonyms:

    Boc-Beta-Cyano-Ala-Oh;Boc-beta-cyano-D-Ala-OH;BOC-BETA-CYANO-DL-ALANINE;ACMC-209k0s;SCHEMBL999757;(2S)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;CTK8H7063;MFCD00236830;AKOS032947913;SC-62575

Alanine, 3-cyano-N-[(1,1-dimethylethoxy)carbonyl]- (9CI) Basic Attributes

214.21846

214.095

Characteristics

99.4

0.2

1.204±0.06 g/cm3(Predicted)

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:214.22
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:214.09535693
Monoisotopic Mass:214.09535693
Topological Polar Surface Area:99.4
Heavy Atom Count:15
Complexity:297
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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