Basic information
- Standard SMILES
Cc1cc(C)c(C)cn1- InChIKey
MNDSSKADVGDFDF-UHFFFAOYSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914936
Names & identifiers
- Preferred name
- 2,4,5-Trimethylpyridine
- IUPAC
- 2,4,5-trimethylpyridine
- English name
- 2,4,5-trimethylpyridine
- Molecular formula
- C8H11N
- Molecular weight
- 121.18
Names & synonyms
2,4,5-TRIMETHYLPYRIDINE1122-39-02,4,5-CollidinePyridine, 2,4,5-trimethyl-UNII-ZAZ69PPX42EINECS 214-345-1ZAZ69PPX42DTXSID60149944RefChem:82052DTXCID0072435214-345-1MNDSSKADVGDFDF-UHFFFAOYSA-N
Show more names
2,4,5-trimethylpyridine HCl2,4,5-trimethylpyridine hydrochloride
2,4,5-trimethyl-pyridine2,4,5-CollidinSCHEMBL138354SCHEMBL4707861SCHEMBL5968096SCHEMBL6520922SCHEMBL29503884DB-239482
Database identifiers
- CAS
1122-39-0- PubChem CID
- 14280
- DTXSID
DTXSID60149944- UNII
- ZAZ69PPX42
- EC Number
- 214-345-1
- Nikkaji
- J40.071H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90
Experimental & physicochemical properties
Kovats Retention Index
1066；1071；1053.9
1084
1507
Physicochemical properties
- Melting point
- -56.98 °C · -56.98°C (estimate)
- Boiling point
- 183.5 °C · 183.5°C
- Density
- 0.933 · 0.9330
- refractive index
- 1.5054 · 1.5054
- FDA UNII
- 69 PPX42 · ZAZ69PPX42
Chemistry & industry
Suppliers3 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Related reactions
2 records
Linked notes
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