4-Amino-L-phenylalanine hydrochloride hemihydrate, 98%
Basic information
- CAS
312693-79-1- Standard SMILES
Cl.Nc1ccc(C[C@H](N)C(=O)O)cc1.Nc1ccc(C[C@H](N)C(=O)O)cc1.O- InChIKey
LVCNYJHEXVGOCY-OWJCAWTQSA-N- Molecular formula
- C18H27ClN4O5
- Average molar mass
- 414.9 g/mol
- Monoisotopic mass
- 414.1669977
Overview
See also: 4-Amino-L-phenylalanine hydrochloride hemihydrate (annotation moved to).
Names & identifiers
- Preferred name
- 4-Amino-L-phenylalanine hydrochloride hemihydrate, 98%
- IUPAC
- bis((2S)-2-amino-3-(4-aminophenyl)propanoic acid);hydrate;hydrochloride
- English name
- 4-Amino-L-phenylalanine hydrochloride
- Molecular formula
- H2NC6H4CH2CH(NH2)CO2HHCl1/2H2O
- Molecular weight
- 451.34
Names & synonyms
4-Amino-L-phenylalanine hydrochloride hemihydrate, 98%312693-79-1(2S)-2-amino-3-(4-aminophenyl)propanoic acid;hydrate;hydrochlorideDTXSID00693815LVCNYJHEXVGOCY-OWJCAWTQSA-NAKOS01588831224286-13-34-Amino-L-phenylalanine--hydrogen chloride--water (2/1/1)4-Amino-L-phenylalanine hemihydrate hydrochloride4-Amino-L-phenylalanine hydrochloride hemihydrate 98%4-Amino-L-phenylalanine hydrochloride hemihydrate(2S)-2-amino-3-(4-aminophenyl)propanoicacid,hydrate,hydrochloride
Database identifiers
- CAS
312693-79-1- PubChem CID
- 53393136
- DTXSID
DTXSID00693815
Properties
Computed structural properties
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 247 · 247-249 °C (lit.)
- form
- powder
- optical activity
- 20 · [α]20/D -8.5°, c =2 in H2O
- Major Application
- peptide synthesis
- InChI
- 1S/2C9H12N2O2.ClH.H2O/c2*10-7-3-1-6(2-4-7)5-8(11)9(12)13;;/h2*1-4,8H,5,10-11H2,(H,12,13);1H;1H2/t2*8-;;/m00../s1
- InChIKey
- LVCNYJHEXVGOCY-OWJCAWTQSA-N
- SMILES
- O.Cl.N[C@@H](Cc1ccc(N)cc1)C(O)=O.N[C@@H](Cc2ccc(N)cc2)C(O)=O
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H335-H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Usespeptide synthesis
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…