CAS No.13712-78-2,7-METHYLGRAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13712-78-2
Name:	7-METHYLGRAMINE
Article Data:	8

Formula:	C₁₂H₁₆N₂
Molecular Weight:	188.272
Synonyms:	N,N-Dimethyl-1-(7-methyl-1H-indol-3-yl)methanamine;7-Methylgramine;Indole, 3-((dimethylamino)methyl)-7-methyl-;
Density:	1.077 g/cm³
Boiling Point:	306.5 °C at 760 mmHg
Flash Point:	139.2 °C
PSA:	19.03000
LogP:	2.53790

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Specification

The 1H-Indole-3-methanamine,N,N,7-trimethyl-, with the CAS registry number 13712-78-2, is also known as 7-Methylgramine. It belongs to the product category of Indoles and Derivatives. This chemical's molecular formula is C₁₂H₁₆N₂ and molecular weight is 188.27. What's more, its IUPAC name is N,N-dimethyl-1-(7-methyl-1H-indol-3-yl)methanamine.

Physical properties of 1H-Indole-3-methanamine,N,N,7-trimethyl- are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.62; (4)ACD/LogD (pH 7.4): 0.66; (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): 9.07; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 8.17 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 61.25 cm³; (15)Molar Volume: 174.7 cm³; (16)Polarizability: 24.28×10^-24cm³; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.077 g/cm³; (19)Flash Point: 139.2 °C; (20)Enthalpy of Vaporization: 54.7 kJ/mol; (21)Boiling Point: 306.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000768 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(c2c1c(cn2)CN(C)C)C
(2)Std. InChI: InChI=1S/C12H16N2/c1-9-5-4-6-11-10(8-14(2)3)7-13-12(9)11/h4-7,13H,8H2,1-3H3
(3)Std. InChIKey: VOCVAFRQMGNEDM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	35mg/kg (35mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12049,