(2S)-2-amino-3-(4-hydroxyphenyl)propanehydrazide

• ChemBase ID: 104774
• Molecular Formular: C9H13N3O2
• Molecular Mass: 195.21842
• Monoisotopic Mass: 195.10077667
• SMILES: NNC(=O)[C@@H](N)Cc1ccc(O)cc1
• Canonical SMILES: NNC(=O)[C@H](Cc1ccc(cc1)O)N
• InChI: InChI=1S/C9H13N3O2/c10-8(9(14)12-11)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5,10-11H2,(H,12,14)/t8-/m0/s1
• InChIKey: MWIXENPCUPDSOS-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-3-(4-hydroxyphenyl)propanehydrazide
• IUPAC Traditional name: (2S)-2-amino-3-(4-hydroxyphenyl)propanehydrazide
• Synonyms: L-Tyrosine hydrazide; (S)-2-Amino-3-(4-hydroxyphenyl)propanehydrazide; L-TYROSINE HYDRAZIDE; L-酪氨酰肼

Database IDs

• CAS Number: 7662-51-3
• EC Number: 231-631-1
• MDL Number: MFCD00007609
• Beilstein Number: 2808635
• PubChem SID: 24889942; 24848230; 162093296
• PubChem CID: 72779

CALCULATED PROPERTIES

• Acid pKa: 9.517743
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.714938
• LogD (pH = 7.4): -1.0238959
• Log P: -0.48751763
• Molar Refractivity: 53.4035 cm^3
• Polarizability: 20.623875 Å^3
• Polar Surface Area: 101.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 196-198 °C(lit.); 196-204 °C
• Optical Rotation: [α]20/D +72±2°, c = 2% in 3 M HCl; [α]20/D +76°, c = 4.2 in 1 M HCl

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36-43
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H317-H319
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥98.0% (HPLC); 95+%; 98%
• Grade: purum
• Linear Formula: 4-(HO)C6H4CH2CH(NH2)CONHNH2

DETAILS

MP Biomedicals - 02157171

Crystalline

Sigma Aldrich - 138045

Application
Excellent reagent for the resolution of amino acids.
Packaging
1, 5 g in glass bottle

Sigma Aldrich - 93915

Other Notes
Chiral base used for the resolution of amino acid derivatives1,2,3