tert-butyl N-(2-(2-amino-1H-imidazol-5-yl)ethyl)carbamate
Basic information
- CAS
959085-33-7- Standard SMILES
CC(C)(C)OC(=O)NCCc1cnc(N)[nH]1- InChIKey
BWWJSWSVMLACIZ-UHFFFAOYSA-N- Molecular formula
- C10H18N4O2
- Average molar mass
- 226.28 g/mol
- Monoisotopic mass
- 226.14297583
Names & identifiers
- Preferred name
- tert-butyl N-(2-(2-amino-1H-imidazol-5-yl)ethyl)carbamate
- IUPAC
- tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate
Names & synonyms
959085-33-7tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamatetert-butyl N-(2-(2-amino-1H-imidazol-5-yl)ethyl)carbamateRefChem:895472971-289-7Histidine, 2-amino-N-BOC-tert-Butyl (2-(2-amino-1H-imidazol-5-yl)ethyl)carbamateBWWJSWSVMLACIZ-UHFFFAOYSA-Ntert-Butyl 2-(2-amino-1H-imidazol-5-yl)ethylcarbamate #
Database identifiers
- CAS
959085-33-7- PubChem CID
- 573085
- EC Number
- 971-289-7
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
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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