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Basic information
- CAS
77716-16-6- Standard SMILES
Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)On1nnc2ccccc21- InChIKey
UMOAGHPTFVVSHR-UHFFFAOYSA-N- Molecular formula
- C17H19N5O4
- Average molar mass
- 357.4 g/mol
Names & identifiers
- Preferred name
- 4-Tert-butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid benzotriazol-1yl ester
- IUPAC
- benzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate
Names & synonyms
77716-16-64-tert-butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid benzotriazol-1yl esterboc-py-obtBoc-4-Amino-1-methylpyrrole-2-carboxylic acid 1,2,3-benzotriazol-1-yl-ester1H-Benzo[d][1,2,3]triazol-1-yl 4-((tert-butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxylateMFCD021796334-(Boc-amino)-1-methylpyrrole-2-carboxylic acid 1,2,3-benzotriazol-1-yl-esterBenzotriazol-1-yl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylateSCHEMBL888267UMOAGHPTFVVSHR-UHFFFAOYSA-NAKOS027383427FS-4515
Show more names
SB620844-tert-Butoxycarbonylamino-1-methyl-1H-pyrrole -2-carboxylic acid benzotriazol-1yl esterDB-075366G84868F0195701,2,3-Benzotriazol-1-yl 4-[(tert-butoxycarbonyl)-amino]-1-methylpyrrole-2-carboxylate1,2,3-Benzotriazol-1-yl 4[[(tert-butyloxy)carbonyl]-amino]-1-methylpyrrole-2-carboxylate4-tert-butoxycarbonylamino-1-methyl-1h-pyrrole-2-carboxylic acid benzotriazol-1-yl ester
Database identifiers
- CAS
77716-16-6- PubChem CID
- 2755987
- EC Number
- 673-964-9
- Nikkaji
- J757.302B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 538
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%)
Related reactions
9 records
Compound notes
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