4-Heptanamine
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Basic information
- CAS
16751-59-0- Standard SMILES
CCCC(N)CCC- InChIKey
CLJMMQGDJNYDER-UHFFFAOYSA-N- Molecular formula
- C7H17N
- Average molar mass
- 115.22 g/mol
- Monoisotopic mass
- 115.13609954
Names & identifiers
- Preferred name
- 4-Heptanamine
- IUPAC
- heptan-4-amine
- English name
- 4-Heptylamine
- Molecular formula
- C7H17N
- Molecular weight
- 115.22
Names & synonyms
4-Heptylamine4-Heptanamine16751-59-0EINECS 240-814-5BRN 16971574-04-00-00745 (Beilstein Handbook Reference)DTXSID5066116RefChem:99077DTXCID4035380CLJMMQGDJNYDER-UHFFFAOYSA-Nheptan-4-amine4-Aminoheptane
Show more names
4-Heptylamine>1-propyl-butylamin4-Aminoheptane 97%heptan-4-ylazanium chloride
1-Propylbutylamine1-PropylbutanamineButylamine, 1-propyl-MFCD00014814(1-propylbutyl)amineheptan-4-amine hydrochlorideSCHEMBL284709hept-4-ylamine
Database identifiers
- CAS
16751-59-0- PubChem CID
- 38665
- DTXSID
DTXSID5066116- UNII
- 7BR4UPN25Q
- EC Number
- 240-814-5
- Nikkaji
- J208.599B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 37.7
Physicochemical properties
- Melting point
- -19 °C · -19°C (estimate)
- Boiling point
- 140 °C · 140°C
- Density
- 0 · 0,77 g/cm3
- refractive index
- 1.417 to · 1.4170 to 1.4190
- pka
- 11.04 · 11.04±0.35(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.77 · 0.77
- InChI
- InChI=1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3
- InChIKey
- CLJMMQGDJNYDER-UHFFFAOYSA-N
- SMILES
- CCCC(N)CCC
- CAS DataBase Reference
- 16751 · 16751-59-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 4 · 4-Heptanamine (16751-59-0)
- Symbol(GHS)
- 7 · GHS07
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
This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.
Danger
H225 (11.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 18-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32963
Hazard Classes and CategoriesFlam. Liq. 2 (11.1%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- EO6025000
- ridadr
- 2733
- hs_code
- 2921199990
- risk_code
- 10-34-43-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 16-26-37/39-53
- hazard_class
- 3/8
- packing_group
- III
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Heptanamine: ACTIVE
Applications
Uses4-Aminoheptane is used in organic syntheses.
Related reactions
123 records
Compound notes
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