CAS No.3717-38-2,1-(METHYLAMINO)ADAMANTANE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3717-38-2
Name:	1-(METHYLAMINO)ADAMANTANE
Article Data:	2

Formula:	C₁₁H₁₉N
Molecular Weight:	165.279
Synonyms:	N-(1-Adamantyl)-N-methylamine;
Density:	1 g/cm³
Boiling Point:	226.8 °C at 760 mmHg
Flash Point:	84 °C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26
PSA:	12.03000
LogP:	2.56550

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Specification

The Tricyclo[3.3.1.1^3,7]decan-1-amine,N-methyl-, with the CAS registry number of 3717-38-2, is also known as N-(1-Adamantyl)-N-methylamine. Its molecular formula is C₁₁H₁₉N and molecular weight is 165.275260. What's more, its IUPAC name is N-Methyladamantan-1-amine. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about the Tricyclo[3.3.1.1^3,7]decan-1-amine,N-methyl- are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.65; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 50.44 cm³; (15)Molar Volume: 164 cm³; (16)Surface Tension: 35.4 dyne/cm; (17)Density: 1 g/cm³; (18)Flash Point: 84 °C; (19)Enthalpy of Vaporization: 46.33 kJ/mol; (20)Boiling Point: 226.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0804 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N(C)C13CC2CC(CC(C1)C2)C3
(2) InChI: InChI=1/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3
(3) InChIKey: NZOLSRPWNVZXTK-UHFFFAOYAR

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	175mg/kg (175mg/kg)		Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 14(3), Pg. 59, 1980.