3-Amino-L-tyrosine HCl hydrate
Basic information
- CAS
23279-22-3- Standard SMILES
Cl.Cl.Nc1cc(CC(N)C(=O)O)ccc1O.O- InChIKey
ITQBVYBSXFBTJX-UHFFFAOYSA-N- Molecular formula
- C9H16Cl2N2O4
- Average molar mass
- 287.14 g/mol
- Monoisotopic mass
- 286.0487124
Names & identifiers
- Preferred name
- 3-Amino-L-tyrosine HCl hydrate
- IUPAC
- 2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrate;dihydrochloride
- English name
- 3-Amino-tyrosine-2 HCl
- Molecular formula
- C9H13ClN2O3
- Molecular weight
- 232.66
Names & synonyms
3-Amino-L-tyrosine HCl hydrateEINECS 245-552-53-Amino-DL-tyrosine dihydrochloride hydrate3-NH2-Tyr-OH.2HCl.H2ODTXSID20945964ITQBVYBSXFBTJX-UHFFFAOYSA-NLS-136753-Aminotyrosine--hydrogen chloride--water (1/2/1)2-amino-3-(3-amino-4-hydroxyphenyl)propanoic acid;hydrate;dihydrochloridem-NH2-Tyr-OH·2HCl3-AMINO-TYR-OH 2HCLH-M-NH2-TYR-OH 2HCL
Show more names
m-NH2-L-Tyr-OH·2HCl3-Amino-Tyr-OH.2HCIH-TYR(3-NH2)-OH 2HCLH-3-AMINO-TYR-OH HCL3-AMINO-TYROSINE-2 H3-NH2-Tyr-OH·2HCl·H2O3-Amino-Tyr-OH2HClH2O
Database identifiers
- CAS
23279-22-3- PubChem CID
- 3084397
- DTXSID
DTXSID20945964- EC Number
- 245-552-5
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 158 · 158-160 °C (dec.)(lit.)
- storage temp.
- 20 °C · −20°C
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- optical activity
- 22 · [α]22/D 1.6°, c = 2 in H2O
- Major Application
- peptide synthesis
- InChI
- 1S/C9H12N2O3.2ClH.H2O/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14;;;/h1-3,7,12H,4,10-11H2,(H,13,14);2*1H;1H2/t7-;;;/m0.../s1
- InChIKey
- ITQBVYBSXFBTJX-QTPLPEIMSA-N
- SMILES
- O.Cl.Cl.N[C@@H](Cc1ccc(O)c(N)c1)C(O)=O
- CAS DataBase Reference
- 23279 · 23279-22-3(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Usespeptide synthesis
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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