Basic information
- CAS
5340-48-7- Standard SMILES
CCCC(C#N)(CCC)CCC- InChIKey
AWAHTDIOUIVENZ-UHFFFAOYSA-N- Molecular formula
- C11H21N
- Average molar mass
- 167.29 g/mol
- Monoisotopic mass
- 167.16739967
Names & identifiers
- Preferred name
- 2,2-Dipropylvaleronitrile
- IUPAC
- 2,2-dipropylpentanenitrile
- English name
- 2,2-dipropylvaleronitrile
- Molecular formula
- C11H21N
- Molecular weight
- 167.29
Names & synonyms
2,2-Dipropylvaleronitrile5340-48-7GE87M2OA614-CYANO-4-PROPYLHEPTANENSC-915EINECS 226-279-0TRIPROPYLACETONITRILEDTXSID30201563NSC 915PENTANENITRILE, 2,2-DIPROPYL-VALPROIC ACID IMPURITY J [EP IMPURITY]VALPROIC ACID IMPURITY J (EP IMPURITY)
Show more names
2,2-dipropylpentDivalproex sodium-5Sodium Valproate Impurity JSodium Valproate EP Impurity JValproate Sodium EP Impurity J
RefChem:441534DTXCID60124054226-279-02,2-dipropylpentanenitrileValproic Acid EP Impurity JUNII-GE87M2OA61NSC915tri-n-propylacetonitrile
Database identifiers
- CAS
5340-48-7- PubChem CID
- 79283
- DTXSID
DTXSID30201563- UNII
- GE87M2OA61
- EC Number
- 226-279-0
- Nikkaji
- J217.905I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Boiling point
- 70 °C · 70 °C(Press: 2 Torr)
- Density
- 0.821 · 0.821±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Major Application
- pharmaceutical small molecule
- FDA UNII
- 87 M2OA61 · GE87M2OA61
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 10 · 10 - Combustible liquids
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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.
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
UsesThese Reference Materials are suitable for use in several analytical applications including, but not limited to, method development for qualitative and quantitative analyses, daily calibration, and routine quality control testing.
Suppliers50 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [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]
孟成科技（上海）有限公司400-820-6829 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
佛山宝诺生物科技有限公司
Related reactions
2 records
Compound notes
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