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4-Nitro-L-phenylalanine monohydrate

4-Nitro-L-phenylalanine monohydrate structure

4-Nitro-L-phenylalanine monohydrate 

structure
  • CAS No:

    207591-86-4

  • Formula:

    C9H12N2O5

  • Chemical Name:

    4-Nitro-L-phenylalanine monohydrate

  • Synonyms:

    4-NITRO-PHE-OH HYDRATE;4-NITRO-L-PHENYLALANINE HYDRATE;4-NITRO-L-PHENYLALANINE MONOHYDRATE;4-NITRO-L-PHENYLALANIN HYDRATE;4-NITRO-PHENYLALANINE HYDRATE;H-L-PHE(4-NO2)-OH H2O;H-PHE(4-NO2)-OH;H-PHE(4-NO2)-OH H2O

  • Categories:

    Biochemical Engineering  >  Amino Acids and Derivatives

Description

off-white to light yellow powder

4-Nitro-L-phenylalanine monohydrate Basic Attributes

228.2

228.074615

2809673

213-446-8

DTXSID50370482

29224999

Characteristics

110

1.70840

white crystalline powder

1.408 g/cm3

245-251 °C (dec.)(lit.)

414.1°C at 760 mmHg

253.5ºC

2-8°C

1.22E-10mmHg at 25°C

Safety Information

III

6.1

UN2811

3

22-24/25

AY7400000

Xi

Irritant

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

H302

|Danger|H301 (14.29%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Nitro-L-phenylalanine monohydrate Use and Manufacturing

p-Nitro-L-phenylalanine is used in the synthesis of Zolmitriptan

Computed Properties

Molecular Weight:228.20
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:228.07462149
Monoisotopic Mass:228.07462149
Topological Polar Surface Area:110
Heavy Atom Count:16
Complexity:243
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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