Basic information
- CAS
94770-75-9- Standard SMILES
CCCCCC(C)COC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C- InChIKey
SRPDNKCJLSLXJB-UHFFFAOYSA-N- Molecular formula
- C26H42O4
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.30830982
Names & identifiers
- Preferred name
- 2-Methylheptyl 8-methylnonyl benzene-1,2-dicarboxylate
- IUPAC
- 2-O-(2-methylheptyl) 1-O-(8-methylnonyl) benzene-1,2-dicarboxylate
- English name
- 3-Amino-2-chloropyridine
- Molecular formula
- C5H5ClN2.ClH
- Molecular weight
- 165.02
Names & synonyms
2-methylheptyl 8-methylnonyl benzene-1,2-dicarboxylateDTXSID502759632-CHLOROPYRIDIN-3-AMINEAKOS MSC-0729TIMTEC-BB SBB004233OTAVA-BB BB71109513743-AMINOCHLOROPYRIDINE2-CHLORO-B-PYRIDYLAMINE2-CHLORO-3-PYRIDYLAMINE2-CHLORO-3-AMINOPYRIDINE2-CHLORO-PYRIDIN-3-YLAMINE2-CHLORO-PYRIDIN-3-YL-AMINE HCL
Database identifiers
- CAS
94770-75-9- PubChem CID
- 101548
- DTXSID
DTXSID50275963
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Melting point
- 76 · 76-78 °C(lit.)
- storage temp.
- 2 · 2-8°C
- CAS DataBase Reference
- 94770 · 94770-75-9(CAS DataBase Reference)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 2811 · UN 2811 6.1/PG 1
- 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.
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 1
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Suppliers18 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海竹田化工科技有限公司+86-021-33561011 13818804961 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海智乾生物科技有限公司[email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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