Basic information
- CAS
5412-69-1- Standard SMILES
CCN(CC)CCCC(C)O- InChIKey
OAQYRNDEOJQVBN-UHFFFAOYSA-N- Molecular formula
- C9H21NO
- Average molar mass
- 159.27 g/mol
- Monoisotopic mass
- 159.16231429
Names & identifiers
- Preferred name
- 5-Diethylamino-2-pentanol
- IUPAC
- 5-(diethylamino)pentan-2-ol
- English name
- 5-Diethylamino-2-pentanol
- Molecular formula
- C9H21NO
- Molecular weight
- 159.27
Names & synonyms
5-Diethylamino-2-pentanol5412-69-15-(diethylamino)pentan-2-ol2-Pentanol, 5-(diethylamino)-5-Diethylaminopentan-2-ol5-(Diethylamino)-2-pentanolNSC6321EINECS 226-497-6SCHEMBL557630SCHEMBL11223912SCHEMBL27681136OAQYRNDEOJQVBN-UHFFFAOYSA-
Show more names
(diethylamino)pentan-2-ol5-DIETHYLAMINO-2-PENTANOL,96%5-DIETHYLAMINO-2-PENTANOL 96%diethyl-[(4R)-4-hydroxypentyl]ammonium
DTXSID301310392NSC 6321NSC-6321AKOS009157273DB-052490NS00043235InChI=1/C9H21NO/c1-4-10(5-2)8-6-7-9(3)11/h9,11H,4-8H2,1-3H3
Database identifiers
- CAS
5412-69-1- PubChem CID
- 95388
- DTXSID
DTXSID301310392- EC Number
- 226-497-6
- Nikkaji
- J83.293F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 81.6
Physicochemical properties
- Boiling point
- 284.8 °C · 284.8°C (rough estimate)
- Density
- 0.86 · 0.86
- refractive index
- 1.444 · 1.444-1.446
- pka
- 15.19 · 15.19±0.20(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25
- HS Code
- 29221985 · 29221985
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29221985
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
湖北实顺生物科技有限公司027-59223025 15107168801 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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