Basic information
- CAS
1250997-62-6- Standard SMILES
CC(C)(C)OC(=O)N1CC2CC1(CN)C2- InChIKey
PORGHNCLXWCXOD-UHFFFAOYSA-N- Molecular formula
- C11H20N2O2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.15247789
Names & identifiers
- Preferred name
- Tert-butyl 1-(aminomethyl)-2-azabicyclo(2.1.1)hexane-2-carboxylate
- IUPAC
- tert-butyl 1-(aminomethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
- English name
- tert-butyl 1-(aMinoMethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
- Molecular formula
- C11H20N2O2
- Molecular weight
- 212.29
Names & synonyms
1250997-62-6tert-butyl 1-(aminomethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylateTert-butyl 1-(aminomethyl)-2-azabicyclo(2.1.1)hexane-2-carboxylateRefChem:892018845-475-2tert-butyl1-(aminomethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylateSCHEMBL18378137SCHEMBL29825519AAC99762MFCD17017103AKOS015900940AT11721
Show more names
Tert-Butyl 1-(Aminomethyl)-2-Azabicyclo[2.1.1]Hexane-2-Carboxylate(WX120164)2-Azabicyclo[2.1.1]hexane-2-carboxylic acid, 1-(aminomethyl)-, 1,1-dimethylethyl ester
SB12620SY148446DB-062349CS-0183468EN300-128723EN300-37375124(2-Boc-2-azabicyclo[2.1.1]hexan-1-yl)methanaminetert-butyl (1s,4s)-1-(aminomethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
Database identifiers
- CAS
1250997-62-6- PubChem CID
- 53302244
- EC Number
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 290.8 · 290.8±13.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 11.22 · 11.22±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H315-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers6 total
韶远科技(上海)有限公司4000665055 · [email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
宁波苯康基石医药科技有限公司15990591583
上海威芬奇医药科技有限公司13817485796 · [email protected]
武汉睿立达生物医药科技有限公司18201884268 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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