(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(pyrimidin-4-yl)butanoic acid
Basic information
- CAS
2349692-04-0- Standard SMILES
O=C(N[C@@H](CCc1ccncn1)C(=O)O)OCC1c2ccccc2-c2ccccc21- InChIKey
NJYPBHRFSSOYCJ-NRFANRHFSA-N- Molecular formula
- C23H21N3O4
- Average molar mass
- 403.4 g/mol
- Monoisotopic mass
- 403.15320616
Names & identifiers
- Preferred name
- (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(pyrimidin-4-yl)butanoic acid
- IUPAC
- (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyrimidin-4-ylbutanoic acid
Names & synonyms
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(pyrimidin-4-yl)butanoic acid2349692-04-0
Database identifiers
- CAS
2349692-04-0- PubChem CID
- 178243249
- EC Number
- 155-128-0
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 579
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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