Basic information
- CAS
1198408-35-3- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(N)nc2)CC1- InChIKey
UGJYTOMOCDGLRS-UHFFFAOYSA-N- Molecular formula
- C15H23N3O2
- Average molar mass
- 277.36 g/mol
- Monoisotopic mass
- 277.17902698
Names & identifiers
- Preferred name
- tert-Butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(6-amino-3-pyridinyl)piperidine-1-carboxylate
- English name
- tert-butyl 4-(6-aMinopyridin-3-yl)piperidine-1-carboxylate
- Molecular formula
- C15H23N3O2
- Molecular weight
- 277.36
Names & synonyms
tert-butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate1198408-35-3DTXSID80678625RefChem:1099550DTXCID80629374127-372-84-(6-Amino-3-pyridyl)-1-Boc-piperidineMFCD111112661-Piperidinecarboxylic acid, 4-(6-amino-3-pyridinyl)-, 1,1-dimethylethyl esterSY0587926-amino-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-carboxylic acid tert-butyl ester6-Amino-3',4',5',6'-tetrahydro-2'H-[3,4]bipyridinyl-1'-carboxylic acid tert-butyl ester
Show more names
tert-Butyl 4-(6-aminopyridin-3-yl)4-(6-aminopyridin-3-yl)piperidine-1-carboxylateert-butyl4-(6-aminopyridin-3-yl)piperidine-1-carboxylatetert-butyl 4-(6-aMinopyridin-3-yl)piperidine-1-carboxylate ISO 9001：2015 REACH6-amino-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-carboxylicacidtert-butylester
UGJYTOMOCDGLRS-UHFFFAOYSA-NSCHEMBL611718SCHEMBL29497122AKOS015899621DS-6705SB41072DA-16818CS-0112822
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 422.8 · 422.8±45.0 °C(Predicted)
- Density
- 1.134 · 1.134±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 6.8 · 6.80±0.26(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)12-4-5-13(16)17-10-12/h4-5,10-11H,6-9H2,1-3H3,(H2,16,17)
- InChIKey
- UGJYTOMOCDGLRS-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(C2=CC=C(N)N=C2)CC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers80 total
上海康恩博医药科技有限公司17510465506 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
山东龙辰药业有限公司15964061209 15964061209 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
25 records
Compound notes
Loading…