Albizziin
Basic information
- CAS
1483-07-4- Standard SMILES
NC(=O)NC[C@H](N)C(=O)O- InChIKey
GZYFIMLSHBLMKF-REOHCLBHSA-N- Molecular formula
- C4H9N3O3
- Average molar mass
- 147.13 g/mol
- Monoisotopic mass
- 147.06439116
Overview
L-Albizziine is a non-proteinogenic L-alpha-amino acid.
Names & identifiers
- Preferred name
- Albizziin
- IUPAC
- (2S)-2-amino-3-(carbamoylamino)propanoic acid
- English name
- Albizziin
- Molecular formula
- C4H9N3O3
- Molecular weight
- 147.13
Names & synonyms
Albizziin1483-07-4AlbizzineL-2-Amino-3-ureidopropionic acid(2S)-2-amino-3-(carbamoylamino)propanoic acidRW59AS48CR2-Amino-3-ureidopropionic acidDTXSID501318659NSC-132089RefChem:553272DTXCID901748462(2S)-2-azaniumyl-3-(carbamoylamino)propanoate
Show more names
NSC 132089L-ALBIZZINEAlbizziine.Albizziin,98%H-ALA(UREIDO)-OH
209-550-8216-046-1L-AlbizziinL-AlbizziineAlbizzin(S)-2-Amino-3-ureidopropanoic acidL-Alanine, 3-[(aminocarbonyl)amino]-3-Ureido-L-alanin
Database identifiers
- CAS
1483-07-4- PubChem CID
- 92891
- DTXSID
DTXSID501318659- ChEBI
CHEBI:6173- UNII
- RW59AS48CR
- EC Number
- 209-550-8、216-046-1
- Nikkaji
- J14.389H
Properties
Computed structural properties
- XLogP
- -4.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 217 °C · 217°C (dec.)
- alpha
- -23.4 · -23.4 º (c=1, 1M HCl)
- Boiling point
- 267.22 °C · 267.22°C (rough estimate)
- Density
- 1.4397 · 1.4397 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 2.15 · 2.15±0.10(Predicted)
- color
- White to Off-White
- Merck
- 13 · 13,210
- CAS DataBase Reference
- 1483 · 1483-07-4(CAS DataBase Reference)
- FDA UNII
- 59 AS48CR · RW59AS48CR
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2937190000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesAlbizziin is a glutamase inhibitor, a glutaminyl-tRNA synthetase inhibitor as well as an intermediate in the synthesis of heterocycles. It is also a potential effector group in affinity chromatography
Additional notes
DefinitionChEBI: L-Albizziine is a non-proteinogenic L-alpha-amino acid.
Suppliers
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Related reactions
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Compound notes
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