Basic information
- CAS
34987-15-0- Standard SMILES
CCN(CC)CCCCCN- InChIKey
JYCCKJSLUHEIDU-UHFFFAOYSA-N- Molecular formula
- C9H22N2
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.17829871
Names & identifiers
- Preferred name
- (5-Aminopentyl)diethylamine
- IUPAC
- N',N'-diethylpentane-1,5-diamine
- English name
- 5-(Diethylamino)pentylamine
- Molecular formula
- C9H22N2
- Molecular weight
- 158.28
Names & synonyms
(5-aminopentyl)diethylamineRefChem:403795973-053-934987-15-05-(DIETHYLAMINO)PENTYLAMINEN',N'-diethylpentane-1,5-diamineN1,N1-diethylpentane-1,5-diamineMFCD000479791,5-Pentanediamine,N1,N1-diethyl-5-diethylaminopentylamineSCHEMBL757465SCHEMBL5269355
Show more names
NN-Diethyl-1,5-pentanediamineN1,N1-diethyl-1,5-Pentanediamine1,5-Pentanediamine, N1,N1-diethyl
SCHEMBL5788563SCHEMBL8462354DTXSID00404549JYCCKJSLUHEIDU-UHFFFAOYSA-NJBA98715SBB008566AKOS0026709195-(diethylamino)pentylamine, AldrichCPR
Database identifiers
- CAS
34987-15-0- PubChem CID
- 4584949
- DTXSID
DTXSID00404549- EC Number
- 973-053-9
- Nikkaji
- J3.477.617B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 70
Physicochemical properties
- Boiling point
- 205 · 205-208 °C
- Density
- 0.8432 g/cm3 · 0.8432 g/cm3
- pka
- 10.59 · 10.59±0.10(Predicted)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；STOT SE 3 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
南京大唐医药科技有限公司025-84341491 13951930983 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
3 records
Compound notes
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