Basic information
- CAS
6571-43-3- Standard SMILES
c1cnc2c(c1)CCCCCCCCCC2- InChIKey
KEOGXNQAWCDJJN-UHFFFAOYSA-N- Molecular formula
- C15H23N
- Average molar mass
- 217.35 g/mol
- Monoisotopic mass
- 217.18304974
Names & identifiers
- Preferred name
- 5,6,7,8,9,10,11,12,13,14-Decahydrocyclododeca(b)pyridine
- IUPAC
- 5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine
- English name
- 2,3-Cyclododecenopyridine
- Molecular formula
- C15H23N
- Molecular weight
- 217.35
Names & synonyms
2,3-cyclododecenopyridine5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridineEINECS 229-490-65,6,7,8,9,10,11,12,13,14-Decahydrocyclododeca(b)pyridineCyclododeca[b]pyridine, 5,6,7,8,9,10,11,12,13,14-decahydro-Cyclododeca(b)pyridine, 5,6,7,8,9,10,11,12,13,14-decahydro-RefChem:527836229-490-66571-43-35H,6H,7H,8H,9H,10H,11H,12H,13H,14H-cyclododeca[b]pyridineSCHEMBL1276776DTXSID40984254
Show more names
Decahydrocyclododeca[b]pyridine2 3-CYCLODODECENOPYRIDINE 98+%5,6,7,8,9,10,11Decahydro-cyclododeca[b]p5,6,7,8,9,10,11-DECAHYDROCYCLODODECA[B]PYRIDINECYCLODODECA[B]PYRIDINE,5,6,7,8,9,10,11,12,13,14-DECAHYDRO2,3-dimethoxybenzoic acid 2-(pentylideneamino)ethyl ester hydrochloride
AKOS015892315LS-12825NS00046987
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 22 · 22-23 °C(lit.)
- Boiling point
- 165 · 165-175 °C3.7 mm Hg(lit.)
- Density
- 0.999 g/mL · 0.999 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.538(lit.)
- Flash point
- 230 °F · >230 °F
- pka
- 6.37 · 6.37±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Cyclododeca[b]pyridine, 5,6,7,8,9,10,11,12,13,14-decahydro-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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