3-Amino-Pyridine-2-Carboxaldehyde supplier

Name
3-aminopyridine-2-carboxaldehyde thiosemicarbazone
EINECS
CAS No. 143621-35-6
Article Data3
CAS DataBase
Density 1.467 g/cm³
Solubility
Melting Point 234 °C
Formula C₇H₉N₅S
Boiling Point 435.961 °C at 760 mmHg
Molecular Weight 195.248
Flash Point 217.462 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Aminopyridine-2-carboxaldehyde thiosemicarbazone;NSC 663249;OCX 191;Pan811;Triapine;
PSA 125.95000
LogP 1.52370

3-Amino-Pyridine-2-Carboxaldehyde Specification

The 3-Amino-Pyridine-2-Carboxaldehyde, with the CAS registry number 143621-35-6, has the systematic name of (2E)-2-[(3-aminopyridin-2-yl)methylidene]hydrazinecarbothioamide. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₉N₅S.

The characteristics of 3-Amino-Pyridine-2-Carboxaldehyde are as followings: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 49; (8)ACD/KOC (pH 7.4): 49; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 121.41 Å²; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 52.571 cm³; (15)Molar Volume: 133.113 cm³; (16)Polarizability: 20.841×10^-24cm³; (17)Surface Tension: 61.14 dyne/cm; (18)Density: 1.467 g/cm³; (19)Flash Point: 217.462 °C; (20)Enthalpy of Vaporization: 69.233 kJ/mol; (21)Boiling Point: 435.961 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C(N\N=C\c1ncccc1N)N
(2)InChI: InChI=1/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+
(3)InChIKey: XMYKNCNAZKMVQN-NYYWCZLTBO

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD	intravenous	> 10mg/kg (10mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING	International Journal of Toxicology. Vol. 19, Pg. 85, 2000.
rat	LDLo	intravenous	20mg/kg (20mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION	International Journal of Toxicology. Vol. 19, Pg. 85, 2000.

Product Name

3-aminopyridine-2-carboxaldehyde thiosemicarbazone

3-Amino-Pyridine-2-Carboxaldehyde Specification

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