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701-54-2

Basic Information
CAS No.: 701-54-2
Name: Cyclohexanecarboxylicacid, 4-(aminomethyl)-
Molecular Structure:
Molecular Structure of 701-54-2 (Cyclohexanecarboxylicacid, 4-(aminomethyl)-)
Formula: C8H15NO2
Molecular Weight: 157.21
Synonyms: 1-(Aminomethyl)cyclohexane-4-carboxylicacid;4-(Aminomethyl)-1-cyclohexanecarboxylic acid;4-(Aminomethyl)cyclohexanecarboxylicacid;p-(Aminomethyl)cyclohexanecarboxylic acid;
EINECS: 214-818-2
Density: 1.095 g/cm3
Melting Point: 233 °C
Boiling Point: 300.2 °C at 760 mmHg
Flash Point: 135.4 °C
Solubility: 1g/6ml
Appearance:
Hazard Symbols: R36/37/38:;
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
Safety:
Transport Information:
PSA: 63.32000
LogP: 1.53640
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  • Casno:

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  • 4-(Aminomethyl)cyclohexanecarboxylic Acid

  • Casno:

    701-54-2

    4-(Aminomethyl)cyclohexanecarboxylic Acid

    Min.Order: 1 Gram

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  • Casno:

    701-54-2

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Specification

The CAS register number of Cyclohexanecarboxylicacid, 4-(aminomethyl)- is 701-54-2. In addition, the molecular formula is C8H15NO2 and the molecular weight is 157.21. The systematic name is 4-(aminomethyl)cyclohexanecarboxylic acid. It is a kind of Drug/Therapeutic Agent. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about Cyclohexanecarboxylicacid, 4-(aminomethyl)- are: (1)ACD/LogP: 0.32; (2)ACD/LogD (pH 5.5): -2.25; (3)ACD/LogD (pH 7.4): -2.19; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.497; (13)Molar Refractivity: 42 cm3; (14)Molar Volume: 143.4 cm3; (15)Polarizability: 16.65 ×10-24cm3; (16)Surface Tension: 43.6 dyne/cm; (17)Density: 1.095 g/cm3; (18)Flash Point: 135.4 °C; (19)Enthalpy of Vaporization: 59.43 kJ/mol; (20)Boiling Point: 300.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000268 mmHg at 25°C.

Uses of Cyclohexanecarboxylicacid, 4-(aminomethyl)-: it can be used to produce 4-aminomethyl-cyclohexanecarboxylic acid methyl ester with methanol. This reaction will need reagent HCl. The reaction time is 5 hours by heating. The yield is about 96%.

Cyclohexanecarboxylicacid, 4-(aminomethyl)- can be used to produce 4-aminomethyl-cyclohexanecarboxylic acid methyl ester with methanol

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1CCC(CN)CC1
(2)InChI: InChI=1/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)
(3)InChIKey: GYDJEQRTZSCIOI-UHFFFAOYAS

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1600mg/kg (1600mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 22, Pg. 340, 1965.
mouse LD50 oral > 15gm/kg (15000mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 22, Pg. 340, 1965.
rat LD50 intravenous 1800mg/kg (1800mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 22, Pg. 340, 1965.
rat LD50 oral > 15gm/kg (15000mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 22, Pg. 340, 1965.