1-(5-phenyl-4H-1,2,4-triazol-3-yl)methanamine hydrate dihydrochloride

1-(5-phenyl-4H-1,2,4-triazol-3-yl)methanamine hydrate dihydrochloride

Formula: C9H14Cl2N4O

SMILES: O.Cl.Cl.NCC1=NN=C(N1)C1=CC=CC=C1

IUPAC: 1-(5-phenyl-4H-1,2,4-triazol-3-yl)methanamine hydrate dihydrochloride

InChI: InChI=1S/C9H10N4.2ClH.H2O/c10-6-8-11-9(13-12-8)7-4-2-1-3-5-7;;;/h1-5H,6,10H2,(H,11,12,13);2*1H;1H2

Composition: C (40.77%), H (5.32%), Cl (26.74%), N (21.13%), O (6.03%)

Molar Mass: 265.14

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	264.0544665
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	AMTBLRHWRCLALA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.13
Topological Polar Surface Area	67.59
Polarizability	19.91
Ring Count	2
Rotatable Bond Count	2

Suppliers

ChemBridge Corp.

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<4 Days	C9H14Cl2N4O		$125.35$125.35