1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine hydrate hydrochloride

1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine hydrate hydrochloride

Formula: C10H14ClN3O2

SMILES: O.Cl.CC1=C(C=CC=C1)C1=NOC(CN)=N1

IUPAC: 1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine hydrate hydrochloride

InChI: InChI=1S/C10H11N3O.ClH.H2O/c1-7-4-2-3-5-8(7)10-12-9(6-11)14-13-10;;/h2-5H,6,11H2,1H3;1H;1H2

Composition: C (49.29%), H (5.79%), Cl (14.55%), N (17.24%), O (13.13%)

Molar Mass: 243.69

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	243.0774544
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XWNDNIFOHCMGIU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.93
Topological Polar Surface Area	64.94
Polarizability	20.84
Ring Count	2
Rotatable Bond Count	2

Suppliers

ChemBridge Corp.

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<4 Days	C10H14ClN3O2		$58.65-$2,757.70$58.65$232.30$2,757.70