Basic information
- CAS
131667-57-7- Standard SMILES
CC(C)(C)OC(=O)N1C=CCCC1- InChIKey
VIBQTJLMJANION-UHFFFAOYSA-N- Molecular formula
- C10H17NO2
- Average molar mass
- 183.25 g/mol
- Monoisotopic mass
- 183.12592879
Names & identifiers
- Preferred name
- Tert-butyl 1,2,3,4-tetrahydropyridine-1-carboxylate
- IUPAC
- tert-butyl 3,4-dihydro-2H-pyridine-1-carboxylate
- English name
- N-Boc-3,4-dihydro-2H-pyridine
- Molecular formula
- C10H17NO2
- Molecular weight
- 183.25
Names & synonyms
tert-butyl 1,2,3,4-tetrahydropyridine-1-carboxylateRefChem:891977686-936-6131667-57-71-N-Boc-3,4-dihydro-2H-pyridinetert-butyl 3,4-dihydropyridine-1(2h)-carboxylaten-boc-3,4-dihydro-2h-pyridineTert-butyl 3,4-dihydro-2H-pyridine-1-carboxylateMFCD007981751-Boc-3,4-dihydro-2H-pyridine1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, 1,1-dimethylethyl esterSCHEMBL2600436
Show more names
N-Boc-3,4-dihydro-2H-pyridine 97%REF DUPL: 1-N-Boc-3,4-dihydro-2H-pyridineert-butyl3,4-dihydro-2H-pyridine-1-carboxylatetert-Butyl 3,4-dihydro-1(2H)-pyridinecarboxylate
SCHEMBL16096089SCHEMBL18979799SCHEMBL226838961-t-boc-5,6-didehydropiperidineDTXSID50440316VIBQTJLMJANION-UHFFFAOYSA-N1-Boc-1,2,3,4-tetrahydropyridineAKOS015914298
Database identifiers
- CAS
131667-57-7- PubChem CID
- 10465102
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 254 °C · 254 °C
- Density
- 0.988 g/mL · 0.988 g/mL at 25 °C
- refractive index
- 20 · n20/D1.477
- Flash point
- 107 °C · 107 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- liquid
- pka
- -0.56 · -0.56±0.20(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h5,7H,4,6,8H2,1-3H3
- InChIKey
- VIBQTJLMJANION-UHFFFAOYSA-N
- SMILES
- C1N(C(OC(C)(C)C)=O)C=CCC1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H400
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Aquatic Acute 1 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2810 6.1 / PGIII
- hs_code
- 2933399990
- risk_code
- 25-50
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- T,N
- safety_code
- 45-61
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H400
- Hazard Classifications
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers68 total
Related reactions
3 records
Compound notes
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