Diheptylamine
Basic information
- CAS
2470-68-0- Standard SMILES
CCCCCCCNCCCCCCC- InChIKey
NJWMENBYMFZACG-UHFFFAOYSA-N- Molecular formula
- C14H31N
- Average molar mass
- 213.4 g/mol
- Monoisotopic mass
- 213.24564999
Names & identifiers
- Preferred name
- Diheptylamine
- IUPAC
- N-heptylheptan-1-amine
- English name
- Diheptylamine
- Molecular formula
- C14H31N
- Molecular weight
- 213.4
Names & synonyms
Diheptylamine1-Heptanamine, N-heptyl-N-HEPTYL-1-HEPTANAMINE5E36MJ5OI8NSC 79264NSC-79264UNII-5E36MJ5OI8AI3-16572DTXSID8062444Diheptylamine (8CI)RefChem:133659DTXCID7037131
Show more names
Diheptylamine>DI-N-HEPTYLAMINEN,N-Diheptylamine1,1'-Iminobisheptanen-heptyl-1-heptanaminLABOTEST-BB LTBB000542
679-968-7NJWMENBYMFZACG-UHFFFAOYSA-N2470-68-0N-heptylheptan-1-amineDi-n-heptylamineMFCD00027309N,N-Diheptylamine #SCHEMBL36300
Database identifiers
- CAS
2470-68-0- PubChem CID
- 75580
- DTXSID
DTXSID8062444- UNII
- 5E36MJ5OI8
- EC Number
- 679-968-7
- Nikkaji
- J80.497E
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 89.5
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 1 °C · 1°C
- Boiling point
- 148 °C · 148 °C / 15mmHg
- Density
- 0.79 · 0.79
- refractive index
- 1.437 · 1.4370-1.4410
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 11.33 · 11.33±0.19(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 1.7 · 1.7×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
- FDA UNII
- 5 E36MJ5OI8 · 5E36MJ5OI8
- EPA Substance Registry System
- 1 · 1-Heptanamine, N-heptyl- (2470-68-0)
- Symbol(GHS)
- 5 · GHS05
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, 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 CategoriesSkin Corr. 1C (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 2735
- hs_code
- 2921.19.6190
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- IRRITANT
- packing_group
- III
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Heptanamine, N-heptyl-: INACTIVE
Applications
UsesDiheptylamine is used in organic syntheses.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
0 records
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Compound notes
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