2-((Tert-butoxycarbonyl)amino)bicyclo[2.2.1]heptane-2-carboxylic acid
Basic information
- CAS
172927-01-4- Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)O)CC2CCC1C2- InChIKey
PUXMQXSFGQBMGE-UHFFFAOYSA-N- Molecular formula
- C13H21NO4
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.14705815
Names & identifiers
- Preferred name
- 2-((Tert-butoxycarbonyl)amino)bicyclo[2.2.1]heptane-2-carboxylic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
- English name
- Boc-2-aminobicyclo[2.2.1]heptane-2-carboxylicacid (mixture of isomers)
- Molecular formula
- C13H21NO4
- Molecular weight
- 255.31
Names & synonyms
172927-01-42-((tert-Butoxycarbonyl)amino)bicyclo[2.2.1]heptane-2-carboxylic acid2-[(tert-butoxycarbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid2-((tert-butoxycarbonyl)amino)bicyclo(2.2.1)heptane-2-carboxylic acidRefChem:450143868-500-9MFCD25132076Boc-2-aminobicyclo[2.2.1]heptane-2-carboxylicacid2-(Boc-amino)-bicyclo[2.2.1]heptane-2-carboxylic acid2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]heptane-2-carboxylic acid2-{[(tert-butoxy)carbonyl]amino}bicyclo[2.2.1]heptane-2-carboxylic acid2-([(TERT-BUTOXY)CARBONYL]AMINO)BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID
Show more names
Boc-2-aminobicyclo[2.2.1]heptane-2-carboxylicacid (mixture of isomers)Bicyclo[2.2.1]heptane-2-carboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-
SCHEMBL9447855XGA92701AKOS020111460BS-45054CS-0198985E74662EN300-1657658F634251
Database identifiers
- CAS
172927-01-4- PubChem CID
- 46737261
- EC Number
- 868-500-9
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Boiling point
- 408.5 · 408.5±24.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 4.05 · 4.05±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HazardClass
- IRRITANT
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H302-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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