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Home > Encyclopedia > 1,4-Cyclohexadiene-1-acetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1), (αR)-

1,4-Cyclohexadiene-1-acetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1), (αR)-

1,4-Cyclohexadiene-1-acetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1), (αR)- structure

1,4-Cyclohexadiene-1-acetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1), (αR)- 

structure
  • CAS No:

    26774-89-0

  • Formula:

    C13H17NO4.Na

  • Chemical Name:

    1,4-Cyclohexadiene-1-acetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1), (αR)-

  • Synonyms:

    1,4-Cyclohexadiene-1-acetic acid,α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-,sodium salt (1:1),(αR)-;1,4-Cyclohexadiene-1-acetic acid,α-[(2-carboxy-1-methylvinyl)amino]-,α-methyl ester,sodium salt,D-;1,4-Cyclohexadiene-1-acetic acid,α-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-,monosodium salt,(R)-;1,4-Cyclohexadiene-1-acetic acid,α-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]-,monosodium salt,(αR)-

  • Categories:

    Biochemical Engineering  >  Amino Acids and Derivatives

1,4-Cyclohexadiene-1-acetic acid, α-[(3-methoxy-1-methyl-3-oxo-1-propen-1-yl)amino]-, sodium salt (1:1), (αR)- Basic Attributes

273.26

273.09800

248-000-1

2922509090

Characteristics

78.46000

0.43860

White to off-white crystalline powder

240 °C (dec.)(lit.)

83 º (c=1, H2O)

Safety Information

NONH for all modes of transport

3

36/37/38

26-36

Xi

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 13 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:273.26
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:273.09770227
Monoisotopic Mass:273.09770227
Topological Polar Surface Area:78.5
Heavy Atom Count:19
Complexity:426
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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