AURAMINE O

The Auramine O is an organic compound with the formula C₁₇H₂₁N₃^.HCl. The IUPAC name of this chemical is 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline hydrochloride. With the CAS registry number 2465-27-2, it is also named as (Tetramethyldiamino)diphenylketoimine hydrochloride. The product's categories are Dyes and Pigments; Organics. Besides, it is a yellow powder, which should be stored in a closed cool and dark place. It can be used together with rhodamine B as the truant auramine-rhodamine stain for mycobacterium tuberculosis. It can be also used as an antiseptic agent.

Physical properties about Auramine O are: (1)ACD/LogP: 3.48; (2)ACD/LogD (pH 5.5): 1.48; (3)ACD/LogD (pH 7.4): 1.52; (4)ACD/BCF (pH 5.5): 2.61; (5)ACD/BCF (pH 7.4): 2.85; (6)ACD/KOC (pH 5.5): 18.71; (7)ACD/KOC (pH 7.4): 20.43; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.84 Å²; (12)Flash Point: 199.4 °C; (13)Enthalpy of Vaporization: 65.78 kJ/mol; (14)Boiling Point: 406.2 °C at 760 mmHg; (15)Vapour Pressure: 8.31E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by N, N-dimethyl aniline and formaldehyde.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed and toxic in contact with skin. Besides, this chemical has limited evidence of a carcinogenic effect. When you are using it, wear suitable protective clothing and gloves and do not breathe dust. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.[N@H]=C(c1ccc(N(C)C)cc1)c2ccc(N(C)C)cc2
(2)InChI: InChI=1/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H
(3)InChIKey: KSCQDDRPFHTIRL-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H
(5)Std. InChIKey: KSCQDDRPFHTIRL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	oral	150mg/kg (150mg/kg)		Chemical Warfare Laboratories Technical Memorandum. Vol. #47-6, Pg. 1959,
domestic animals - goat/sheep	LD50	oral	150mg/kg (150mg/kg)		Chemical Warfare Laboratories Technical Memorandum. Vol. #47-6, Pg. 1959,
mouse	LD50	oral	480mg/kg (480mg/kg)		U.S. Army Chemical Research & Development Laboratory, Special Publication. Vol. 4-59, Pg. 1964,
mouse	LD50	skin	300mg/kg (300mg/kg)		U.S. Army Chemical Research & Development Laboratory, Special Publication. Vol. 4-59, Pg. 1964,
mouse	LD50	subcutaneous	300mg/kg (300mg/kg)		Osaka-furitsu Koshu Eisei Kenkyusho Kenkyu Hokoku, Koshu Eisei Hen. Research Reports of the Oaka Prefectural Institute of Public Health, Public Health Section. Vol. (3), Pg. 185, 1953.
rat	LD50	intraperitoneal	135mg/kg (135mg/kg)		NATO ASI Series, Series A: Life Sciences. Vol. 60, Pg. 745, 1983.
rat	LDLo	oral	1500mg/kg (1500mg/kg)		Cancer Research. Vol. 26, Pg. 619, 1966. Link to PubMed