Basic information
- CAS
4006-50-2- Standard SMILES
C1CCc2nc3c(nc2C1)CCCC3- InChIKey
JYYRTWNCBVRKMN-UHFFFAOYSA-N- Molecular formula
- C12H16N2
- Average molar mass
- 188.27 g/mol
- Monoisotopic mass
- 188.13134852
Overview
Polycartine B is a member of phenazines.
Names & identifiers
- Preferred name
- 1,2,3,4,6,7,8,9-Octahydrophenazine
- IUPAC
- 1,2,3,4,6,7,8,9-octahydrophenazine
- English name
- 1,2,3,4,6,7,8,9-octahydrophenazine
- Molecular formula
- C12H16N2
- Molecular weight
- 188.27
Names & synonyms
1,2,3,4,6,7,8,9-Octahydrophenazine4006-50-2EINECS 223-659-8DTXSID40193122NSC 19848RefChem:410466DTXCID50115613223-659-8NSC19848Aminocaproic Acid Impurity 4MLS000737867Phenazine, 1,2,3,4,6,7,8,9-octahydro-
Show more names
1,2,3,4,6,7,8,9-Octahydrophenazin1,2,3,4,6,7,8,9-Octahydrophenazine - [X94121]Aminocaproic Acid Impurity 4Q: What is Aminocaproic Acid Impurity 4 Q: What is the CAS Number of Aminocaproic Acid Impurity 4
Dicyclohexanopyrazine1,?2,?3,?4,?6,?7,?8,?9-?Octahydrophenazine12346789-OctahydrophenazineSCHEMBL2406021CHEMBL1902281JYYRTWNCBVRKMN-UHFFFAOYSA-CHEBI:187021JYYRTWNCBVRKMN-UHFFFAOYSA-N
Database identifiers
- CAS
4006-50-2- PubChem CID
- 77623
- DTXSID
DTXSID40193122- ChEMBL
CHEMBL1902281- ChEBI
CHEBI:187021
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
Melting Point112 - 113 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 110 · 110-111 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 135 · 135-170 °C(Press: 11 Torr)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.27 · 3.27±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H332-H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-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
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, P317, 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
- H312-H332-H302-H319-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Uses1,2,3,4,6,7,8,9-Octahydrophenazine is an impurity found in the rearragement of cyclohexane oxime to caprolactam.
Upstream & downstream products
Downstream products
Suppliers23 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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