Basic information
- CAS
174747-95-6- Standard SMILES
CCCCC(CO)(CBr)CCCC- InChIKey
AUOXFELRSAFJEH-UHFFFAOYSA-N- Molecular formula
- C11H23BrO
- Average molar mass
- 251.2 g/mol
- Monoisotopic mass
- 250.09323
Names & identifiers
- Preferred name
- Agn-PC-0muna8
- IUPAC
- 2-(bromomethyl)-2-butylhexan-1-ol
- English name
- 2-(broMoMethyl)-2-butyl-1-hexanol
- Molecular formula
- C11H23BrO
- Molecular weight
- 251.2
Names & synonyms
174747-95-6AGN-PC-0MUNA8DTXSID90431869RefChem:317668DTXCID803826992-(Bromomethyl)-2-butylhexan-1-ol2-(bromomethyl)-2-butyl-1-hexanolMFCD202699471-bromo-2-butyl-2-(hydroxymethyl)hexaneSCHEMBL6199661AKOS0221732561-Hexanol, 2-(bromomethyl)-2-butyl-
Show more names
SY545553DB-089595H59606
Database identifiers
- CAS
174747-95-6- PubChem CID
- 9856331
- DTXSID
DTXSID90431869
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Boiling point
- 294 · 294.0±23.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- pka
- 14.71 · 14.71±0.10(Predicted)
Chemistry & industry
Suppliers12 total
成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
天津安浩生物科技有限公司[email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
南京天海医药科技有限公司025-58351158 13851454004 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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