1-Heptyl-1H-imidazole

HCID 186669

Notes Reactions

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Basic information

CAS: 53657-09-3
Standard SMILES: CCCCCCCn1ccnc1
InChIKey: NQQMTFKCFYHSBJ-UHFFFAOYSA-N
Molecular formula: C10H18N2
Average molar mass: 166.26 g/mol
Monoisotopic mass: 166.14699858

Names & identifiers

Preferred name: 1-Heptyl-1H-imidazole
IUPAC: 1-heptylimidazole
English name: 1-heptyliMidazole
Molecular formula: C10H18N2
Molecular weight: 166.26

Names & synonyms

1-Heptyl-1H-imidazole1-heptylimidazole53657-09-31h-imidazole, 1-heptyl-MFCD18889409N-heptylimidazoleCHEMBL94372SCHEMBL521865SCHEMBL5982718SCHEMBL7616249SCHEMBL86903111-Subsituted 1H-imidazole, 5

Show more names

SCHEMBL25320746BDBM84670DTXSID40201892NQQMTFKCFYHSBJ-UHFFFAOYSA-NAC6315AKOS013124578AS-10319FH173229

Database identifiers

CAS: 53657-09-3
PubChem CID: 186669
DTXSID: DTXSID40201892
ChEMBL: CHEMBL94372
Nikkaji: J622.134C

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 12
Formal charge: 0
Complexity: 104

Chemistry & industry

Suppliers15 total

上海铂之泉科技有限公司13681726990 13681726990 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Related reactions

21 records

New reaction record

HRID 65241As reactantuspto-grants-1986_09

HRID 65242As reactantuspto-grants-1986_09

HRID 65244As reactantuspto-grants-1986_09

HRID 65245As reactantuspto-grants-1986_09

HRID 65246As reactantuspto-grants-1986_09

HRID 105303As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 119983As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 150872As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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