ChemicalBook--->CAS DataBase List--->111-68-2

111-68-2

111-68-2 Structure

111-68-2 Structure
IdentificationMore
[Name]

1-AMINOHEPTANE
[CAS]

111-68-2
[Synonyms]

1-AMINOHEPTANE
1-Amino-n-heptane
1-HEPTYLAMINE
AMINE C7
Aminoheptane
HEPTYLAMINE
N-HEPTYLAMINE
N-HEPYLAMINE
RARECHEM AL BW 0465
1-Aminoheptan
1-Heptanamine
CH3(CH2)6NH2
n-Heptylamin
N-HEPTYLAMINE, 99+%
n-Heptylamine, 98+%
Heptylamin
Heptanamine
1-Heptylamine, 98+%
1-Aminoheptane, 98+%
[EINECS(EC#)]

203-895-8
[Molecular Formula]

C7H17N
[MDL Number]

MFCD00008244
[Molecular Weight]

115.22
[MOL File]

111-68-2.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLORLESS TO SLIGHTLY YELLOW LIQUID
[Melting point ]

-23 °C
[Boiling point ]

154-156 °C(lit.)
[density ]

0.777 g/mL at 25 °C(lit.)
[vapor pressure ]

4.3-8hPa at 20-30℃
[refractive index ]

n20/D 1.424(lit.)
[Fp ]

95 °F
[storage temp. ]

Flammables area
[form ]

Liquid
[pka]

10.67(at 25℃)
[color ]

Clear colorless to slightly yellow
[Water Solubility ]

Soluble in water 6791 mg/L @ 25°C.
[Sensitive ]

Air Sensitive
[BRN ]

1731688
[Henry's Law Constant]

2.8×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
[InChI]

1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3
[InChIKey]

WJYIASZWHGOTOU-UHFFFAOYSA-N
[SMILES]

CCCCCCCN
[LogP]

2.57
[CAS DataBase Reference]

111-68-2(CAS DataBase Reference)
[EPA Substance Registry System]

1-Heptanamine (111-68-2)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R10:Flammable.
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2734 8/PG 2
[WGK Germany ]

1
[RTECS ]

MK0600000
[F ]

34
[TSCA ]

Yes
[REACH Registrations]

Inactive
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29211999
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Oral
Aquatic Chronic 2
Eye Dam. 1
Flam. Liq. 3
Skin Corr. 1A
Skin Sens. 1
[Toxicity]

mouse,LD50,intraperitoneal,100mg/kg (100mg/kg),Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 30, Pg. 623, 1941.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

heptanal oxime-->1-Nitroheptane-->3-Phenylpropionitrile-->N-Octanamide-->1-Bromoheptane-->1-Heptanol
[Preparation Products]

Tetraheptylammonium bromide-->N,1-dimethylhexylamine-->Diheptylamine-->Tetraheptylammonium iodide-->N-HEPTYL ISOCYANATE-->1-Octanol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

n-heptylamine(111-68-2).msds
Hazard InformationBack Directory
[Hazard]

Combustible.
[Chemical Properties]

1-Aminoheptane is a flammable liquid.
[Chemical Properties]

CLEAR COLORLESS TO SLIGHTLY YELLOW LIQUID
[Uses]

Heptylamine is used in organic syntheses.
[Definition]

ChEBI: Heptylamine is an alkylamine.
[Synthesis Reference(s)]

Tetrahedron Letters, 14, p. 3839, 1973 DOI: 10.1016/S0040-4039(01)87051-9
The Journal of Organic Chemistry, 37, p. 335, 1972 DOI: 10.1021/jo00967a042
[Purification Methods]

Dry it in over KOH pellets for 24hours, then decant it and fractionally distil it. Store away from CO2. [Beilstein 4 IV 734.]
Spectrum DetailBack Directory
[Spectrum Detail]

1-AMINOHEPTANE(111-68-2)MS
1-AMINOHEPTANE(111-68-2)1HNMR
1-AMINOHEPTANE(111-68-2)13CNMR
1-AMINOHEPTANE(111-68-2)IR1
1-AMINOHEPTANE(111-68-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

n-Heptylamine, 99+%(111-68-2)
[Alfa Aesar]

1-Heptylamine, 98+%(111-68-2)
[Sigma Aldrich]

111-68-2(sigmaaldrich)
[TCI AMERICA]

Heptylamine,>98.0%(GC)(T)(111-68-2)
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