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10075-36-2

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Basic Information
CAS No.: 10075-36-2
Name: N-cyclohexylsulphamic acid, compound with alpha-[2-(dimethylamino)propyl]-alpha-isopropylbenzene-1-acetonitrile (1:1)
Molecular Structure:
Molecular Structure of 10075-36-2 (N-cyclohexylsulphamic acid, compound with alpha-[2-(dimethylamino)propyl]-alpha-isopropylbenzene-1-acetonitrile (1:1))
Formula: C16H24N2•C6H13NO3S
Molecular Weight: 423.68
Synonyms: N-cyclohexylsulphamic acid, compound with alpha-[2-(dimethylamino)propyl]-alpha-isopropylbenzene-1-acetonitrile (1:1)
Density: 0.952g/cm3
Boiling Point: 346.1°Cat760mmHg
Flash Point: 136.2°C
Safety: Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of SOx, CN−, and NOx.
PSA: 101.81000
LogP: 5.62738
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Chemistry

Molecule structure of Isoaminile cyclamate (CAS NO.10075-36-2) :

IUPAC Name: cyclohexylsulfamic acid;4-(dimethylamino)-2-phenyl-2-propan-2-ylpentanenitrile 
Molecular Weight: 423.61248 g/mol
Molecular Formula: C22H37N3O3S
Density: 0.952 g/cm3
Boiling Point: 346.1 °C at 760 mmHg
Flash Point: 136.2 °C  
Molar Volume: 256.5 cm3
Polarizability: 30.12*10-24 cm3
Surface Tension: 34.7 dyne/cm 
Enthalpy of Vaporization: 59.02 kJ/mol
Vapour Pressure: 5.89E-05 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 7
Exact Mass: 423.255563
MonoIsotopic Mass: 423.255563
Topological Polar Surface Area: 93.4
Heavy Atom Count: 29
Complexity: 494
Canonical SMILES: CC(C)C(CC(C)N(C)C)(C#N)C1=CC=CC=C1.C1CCC(CC1)NS(=O)(=O)O
InChI: InChI=1S/C16H24N2.C6H13NO3S/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15;8-11(9,10)7-6-4-2-1-3-5-6/h6-10,13-14H,11H2,1-5H3;6-7H,1-5H2,(H,8,9,10)
InChIKey: REVYDCJKWVXJGT-UHFFFAOYSA-N
EINECS: 233-207-1

Toxicity Data With Reference

dog LD50 intravenous 84mg/kg (84mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 323, 1968.
mouse LD50 intraperitoneal 133mg/kg (133mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 323, 1968.
mouse LD50 intravenous 57mg/kg (57mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 2212, 1971.
mouse LD50 oral 298mg/kg (298mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 2212, 1971.
mouse LD50 subcutaneous 175mg/kg (175mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA		 Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 1787, 1971.
rat LD50 oral 270mg/kg (270mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 2212, 1971.
rat LD50 subcutaneous 138mg/kg (138mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 2212, 1971.

Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

Safety Profile

Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of SOx, CN−, and NOx.

Specification

 Isoaminile cyclamate (CAS NO.10075-36-2) is also called N-cyclohexylsulphamic acid, compound with alpha-[2-(dimethylamino)propyl]-alpha-isopropylbenzene-1-acetonitrile (1:1) ; Mucalan ; Perocan cyclamate ; TAT-1 ; Valeronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, cyclamate ; alpha-(Isopropyl)-alpha-(beta-dimethylaminopropyl)phenylacetonitrile
cyclamate .