Basic information
- CAS
1035325-28-0- Standard SMILES
CC(C)(C)OC(=O)NC12CCCC(C(=O)O)(C1)C2- InChIKey
VJMSCDJQBXPPAR-UHFFFAOYSA-N- Molecular formula
- C13H21NO4
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.14705815
Names & identifiers
- Preferred name
- 5-[(tert-Butoxycarbonyl)amino]bicyclo[3.1.1]heptane-1-carboxylic Acid
- IUPAC
- 5-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.1]heptane-1-carboxylic acid
- English name
- 5-[(tert-Butoxycarbonyl)amino]bicyclo[3.1.1]heptane-1-carboxylic acid
- Molecular formula
- C13H21NO4
- Molecular weight
- 255.31
Names & synonyms
1035325-28-05-[(tert-butoxycarbonyl)amino]bicyclo[3.1.1]heptane-1-carboxylic acid5-((tert-butoxycarbonyl)amino)bicyclo[3.1.1]heptane-1-carboxylic acid5-((tert-Butoxycarbonyl)amino)bicyclo(3.1.1)heptane-1-carboxylic AcidRefChem:528845869-176-15-{[(tert-butoxy)carbonyl]amino}bicyclo[3.1.1]heptane-1-carboxylic acid5-(tert-butoxycarbonylamino)norpinane-1-carboxylic acidMFCD13806407EN300-881095-tert-Butoxycarbonylamino-bicyclo[3.1.1]heptane-1-carboxylic acid5-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.1]heptane-1-carboxylic acid
Show more names
5-(Boc-amino)bicyclo[3.1.1]heptane-1-carboxylic Acid5-(tert-butoxycarbonylamino)norpinane-1-carboxylic acid - [B81181]5-[[(1,1-Dimethylethoxy)carbonyl]amino]bicyclo[3.1.1]heptane-1-carboxylic acidBicyclo[3.1.1]heptane-1-carboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-
SCHEMBL32136245-[(2-methylpropan-2-yl)oxyVJMSCDJQBXPPAR-UHFFFAOYSA-NAKOS034230546AT34328PS-20649SY194644EN300-12446759
Properties
Computed structural properties
- XLogP
- 1.5
- 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
- 377
Physicochemical properties
- Boiling point
- 398.9 · 398.9±31.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 4.59 · 4.59±0.40(Predicted)
- Appearance
- white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
Aladdin Scientific[email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
政扬药物研究开发(杭州)有限公司13995958448; 13995958448 · [email protected]
上海索本生物科技有限公司13023173052 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
河北迪远医药技术有限公司13803176464 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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