tert-butyl (6S)-6-(aminomethyl)-5-azaspiro[2.4]heptane-5-carboxylate
Basic information
- CAS
1262397-26-1- Standard SMILES
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CN- InChIKey
SUMSUPZIMDXTDF-VIFPVBQESA-N- Molecular formula
- C12H22N2O2
- Average molar mass
- 226.32 g/mol
- Monoisotopic mass
- 226.16812795
Names & identifiers
- Preferred name
- tert-butyl (6S)-6-(aminomethyl)-5-azaspiro[2.4]heptane-5-carboxylate
- IUPAC
- tert-butyl (6S)-6-(aminomethyl)-5-azaspiro[2.4]heptane-5-carboxylate
- English name
- (S)-tert-butyl 6-(aminomethyl)-5-azaspiro[2.4]heptane-5-carboxylate
- Molecular formula
- C12H22N2O2
- Molecular weight
- 226.32
Names & synonyms
1262397-26-1tert-butyl (6S)-6-(aminomethyl)-5-azaspiro[2.4]heptane-5-carboxylatetert-butyl (6S)-6-(aminomethyl)-5-azaspiro(2.4)heptane-5-carboxylateRefChem:891931986-599-8(S)-TERT-BUTYL 6-(AMINOMETHYL)-5-AZASPIRO[2.4]HEPTANE-5-CARBOXYLATEMFCD25541989SCHEMBL933227BS-42826CS-0183465EN300-1698025SUMSUPZIMDXTDF-VIFPVBQESA-N
Show more names
5-Azaspiro[2.4]heptane-5-carboxylic acid, 6-(aminomethyl)-, 1,1-dimethylethyl ester, (6S)-
(S)-5-(Boc)-6-(aminomethyl)-SY344464F331628(S)-5-Boc-6-(aminomethyl)-5-azaspiro[2.4]heptane(S)-5-(Boc)-6-(aminomethyl)-5-azaspiro[2.4]heptane(S)-t-Butyl 6-(aminomethyl)-5-azaspiro[2.4]heptane-5-carboxylate(S)-TERT-BUTYL6-(AMINOMETHYL)-5-AZASPIRO[2.4]HEPTANE-5-CARBOXYLATEtert-butyl (S)-6-(aminomethyl)-5-azaspiro[2.4]heptane-5-carboxylate
Database identifiers
- CAS
1262397-26-1- PubChem CID
- 66847925
- EC Number
- 986-599-8
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 321.8 · 321.8±15.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 9.91 · 9.91±0.29(Predicted)
- Appearance
- light yellow liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
1 records
Compound notes
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