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646-19-5

646-19-5 Structure

646-19-5 Structure
IdentificationMore
[Name]

1,7-DIAMINOHEPTANE
[CAS]

646-19-5
[Synonyms]

1,7-DIAMINOHEPTANE
1,7-HEPTANEDIAMINE
HEPTAMETHYLENEDIAMINE
HEPTANEDIAMINE
RARECHEM AL BW 0083
1,7-Heptamethylenediamine
H2N(CH2)7NH2
Diaminoheptane
Heptamethylenediamine~1,7-Heptanediamine
1,7-Diaminoheptane,98%
1,7-Heptanediamine, Heptamethylenediamine
Heptane-1,7-diamine
[EINECS(EC#)]

211-468-2
[Molecular Formula]

C7H18N2
[MDL Number]

MFCD00008246
[Molecular Weight]

130.23
[MOL File]

646-19-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystalline chunks
[Melting point ]

26-29 °C (lit.)
[Boiling point ]

223-225 °C (lit.)
[density ]

0,86 g/cm3
[Fp ]

190 °F
[refractive index ]

1.4590
[storage temp. ]

2-8°C
[solubility ]

450g/l
[form ]

Crystalline Chunks
[pka]

10.95±0.10(Predicted)
[color ]

White to light yellow
[Water Solubility ]

Soluble in water, ethanol, acetone, ether and benzene.
[Sensitive ]

Air Sensitive
[BRN ]

1734159
[CAS DataBase Reference]

646-19-5(CAS DataBase Reference)
Questions And AnswerBack Directory
[Preparation]

Step 1 involves the hydroxylation of cycloheptane to cycloheptanol, catalyzed by enzyme p450 in the presence of the endogenous cofactor NADPH. Step 2 involves the oxidation of cycloheptanol to cycloheptanone, catalyzed by alcohol dehydrogenase (ADH) in the presence of NADP+, followed by the conversion of cycloheptanone to heptanolide by Baeyer-Villiger oxidase (BVMO). Heptanolide is then hydrolyzed by lactonease (Lac) to 7-hydroxyheptanoic acid, which is subsequently reduced to 1,7-heptanediol by CAR (with the aid of phosphoethyl ester transferase (SFP)) and endogenous aldehyde-ketone reductase (AKR). Step 3 involves two rounds of oxidation/amination reactions catalyzed by ChnD and TA: first, 1,7-heptanediol is oxidized to 7-hydroxyheptanal by ChnD, then amination with TA to 7-aminoheptanol, then oxidized again by ChnD to 7-aminoheptanal, and finally amination with TA to 1,7-diaminoheptane.
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
[Hazard Codes ]

C
[Risk Statements ]

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 3259 8/PG 2
[WGK Germany ]

3
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29212900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nonanediamide-->1,6-Heptadiene-->1,7-Dibromoheptane-->1,5-Dicyanopentane-->p-Toluenesulfonamide-->Azelaic acid
[Preparation Products]

7-Diethylaminoheptylamine-->1,7-Diisothiocyanatoheptane
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystalline chunks
[Uses]

1,7-Diaminoheptane is used in the preparation of 7-amino-1-guanidinooctane and 1,7-diamino-trans-hept-3-ene, which is used as a deoxyhypusine synthase inhibitor.
Spectrum DetailBack Directory
[Spectrum Detail]

1,7-DIAMINOHEPTANE(646-19-5)MS
1,7-DIAMINOHEPTANE(646-19-5)1HNMR
1,7-DIAMINOHEPTANE(646-19-5)13CNMR
1,7-DIAMINOHEPTANE(646-19-5)IR1
1,7-DIAMINOHEPTANE(646-19-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,7-Diaminoheptane, 98%(646-19-5)
[Alfa Aesar]

1,7-Diaminoheptane, 98%(646-19-5)
[Sigma Aldrich]

646-19-5(sigmaaldrich)
[TCI AMERICA]

1,7-Diaminoheptane,>98.0%(GC)(T)(646-19-5)
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