Name: C-(2H-TETRAZOL-5-YL)-METHYLAMINE
SKU: 31602-63-8

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Basic Information

Molecular Structure:
CAS No.:	31602-63-8
Name:	C-(2H-TETRAZOL-5-YL)-METHYLAMINE
Article Data:	8

Formula:	C₂H₅N₅
Molecular Weight:	99.0952
Synonyms:	1H-Tetrazole,5-(aminomethyl)- (8CI);1H-Tetrazole-5-methanamine (9CI);Tetrazole,5-(aminomethyl)- (6CI,7CI);(1H-Tetrazol-5-ylmethyl)amine;1-(1H-Tetrazol-5-yl)methanamine;5-Aminomethyl-1H-tetrazole;5-Aminomethyltetrazole;Glycine tetrazole;[(2H-Tetrazol-5-yl)methyl]amine;
EINECS:	604-604-1
Density:	1.47 g/cm³
Melting Point:	265 °C
Boiling Point:	316.451 °C at 760 mmHg
Flash Point:	171.024 °C
PSA:	80.48000
LogP:	-0.64130

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Specification

The CAS register number of 2H-Tetrazole-5-methanamine is 31602-63-8. It also can be called as 1-(2H-Tetrazol-5-yl)methanamine and the IUPAC name about this chemical is 2H-tetrazol-5-ylmethanamine. The molecular formula about this chemical is C₂H₅N₅ and the molecular weight is 99.09. It belongs to the Heterocycles series.

Physical properties about 2H-Tetrazole-5-methanamine are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 80.48Å²; (9)Index of Refraction: 1.611; (10)Molar Refractivity: 23.411 cm³; (11)Molar Volume: 67.415 cm³; (12)Polarizability: 9.281x10^-24cm³; (13)Surface Tension: 103.771 dyne/cm; (14)Flash Point: 171.024 °C; (15)Enthalpy of Vaporization: 55.778 kJ/mol; (16)Boiling Point: 316.451 °C at 760 mmHg.

Uses of 2H-Tetrazole-5-methanamine: it can be used to produce 1-(4-cyano-phenyl)-3-(1H-tetrazol-5-ylmethyl)-thiourea with 4-isothiocyanato-benzonitrile at ambient temperature. This reaction will need reagent Na₂CO₃ and solvent H₂O, ethyl acetate. The yield is about 77%.

You can still convert the following datas into molecular structure:
(1)SMILES: C(c1[nH]nnn1)N
(2)InChI: InChI=1/C2H5N5/c3-1-2-4-6-7-5-2/h1,3H2,(H,4,5,6,7)
(3)InChIKey: ZHCLIFKUVIFYBY-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C2H5N5/c3-1-2-4-6-7-5-2/h1,3H2,(H,4,5,6,7)
(5)Std. InChIKey: ZHCLIFKUVIFYBY-UHFFFAOYSA-N