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3073-59-4

Basic Information
CAS No.: 3073-59-4
Name: N,N'-DIACETYL-1,6-DIAMINOHEXANE
Article Data: 26
Molecular Structure:
Molecular Structure of 3073-59-4 (N,N'-DIACETYL-1,6-DIAMINOHEXANE)
Formula: C10H20N2O2
Molecular Weight: 200.281
Synonyms: NSC 95580;Acetamide,N,N'-hexamethylenebis-(6CI,7CI,8CI);1,6-Hexanebisacetoacetamide;DADH;HMBA;Hexamethylene bisacetamide;Hexamethylenediacetamide;N,N'-Diacetylhexamethylenediamine;N,N'-Hexamethylenebisacetamide;
EINECS: 211-363-1
Density: 0.974 g/cm3
Melting Point: 128-129 °C(lit.)
Boiling Point: 456.7 °C at 760 mmHg
Flash Point: 193.2 °C
Appearance: white flakes.
Risk Codes: 33
Safety: 22-24/25
PSA: 58.20000
LogP: 1.60080
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    N,N'-Hexamethylenebisacetamide Application:99

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  • Acetamide,N,N'-1,6-hexanediylbis-

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    3073-59-4

    Acetamide,N,N'-1,6-hexanediylbis-

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Specification

The Acetamide,N,N'-1,6-hexanediylbis- with CAS registry number of 3073-59-4 is also called Hexamethylene bisacetamide. The IUPAC name is N,N'-hexane-1,6-diyldiacetamide. In addition, the formula is C10H20N2O2 and the molecular weight is 200.28.

Physical properties about this chemical are: (1)ACD/LogP: -0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.73; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.55; (8)ACD/KOC (pH 7.4): 9.55; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 55.62 cm3; (15)Molar Volume: 205.4 cm3; (16)Polarizability: 22.05 ×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 0.974 g/cm3; (19)Flash Point: 193.2 °C; (20)Enthalpy of Vaporization: 71.67 kJ/mol; (21)Boiling Point: 456.7 °C at 760 mmHg; (22)Vapour Pressure: 1.58E-08 mmHg at 25°C.

Preparation of Acetamide,N,N'-1,6-hexanediylbis-: it can be prepared by acetamide and hexane-1,6-diamine. The other product is N-(6-amino-hexyl)-acetamide. The reaction time is 10 hours with heating. And the yield is about 57%.

Preparation of Acetamide,N,N'-1,6-hexanediylbis- can be prepared by acetamide and hexane-1,6-diamine. The other product is N-(6-amino-hexyl)-acetamide.

Uses of Acetamide,N,N'-1,6-hexanediylbis-: it can react with acetic acid anhydride to give tetraacetyl-hexamethylen-diamin. This reaction will need reagent sodium acetate. The reaction time is 20 hours with heating. And the yield is about 68%.

Uses of Acetamide,N,N'-1,6-hexanediylbis- can react with acetic acid anhydride to give tetraacetyl-hexamethylen-diamin.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCCCCCNC(=O)C)C
(2)InChI: InChI=1/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)
(3)InChIKey: BNQSTAOJRULKNX-UHFFFAOYAR

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo intravenous 4270mg/kg/10D (4270mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BLOOD: THROMBOCYTOPENIA
Cancer Research. Vol. 47, Pg. 5788, 1987.
mouse LD50 intraperitoneal 4100mg/kg (4100mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Investigational New Drugs. The Journal of New Anticancer Agents. Kluwer Academic Pub., POB 358, Accord Stn., Hingham, MA 02018) V.1- 1983-Vol. 3, Pg. 263, 1985.
rat LD50 intraperitoneal 3250mg/kg (3250mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Investigational New Drugs. The Journal of New Anticancer Agents. Kluwer Academic Pub., POB 358, Accord Stn., Hingham, MA 02018) V.1- 1983-Vol. 3, Pg. 263, 1985.