methyl 3-[(methylamino)methyl]benzoate hydrochloride

methyl 3-[(methylamino)methyl]benzoate hydrochloride

CAS: 1187930-01-3

Formula: C10H14ClNO2

SMILES: Cl.CNCC1=CC=CC(=C1)C(=O)OC

IUPAC: methyl 3-[(methylamino)methyl]benzoate hydrochloride

InChI: InChI=1S/C10H13NO2.ClH/c1-11-7-8-4-3-5-9(6-8)10(12)13-2;/h3-6,11H,7H2,1-2H3;1H

Composition: C (55.69%), H (6.54%), Cl (16.44%), N (6.49%), O (14.84%)

Molar Mass: 215.68

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.0713064
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WUBDXFGVYQGRQF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.33
Topological Polar Surface Area	38.33
Polarizability	19.95
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	1187930-01-3		$126.50-$1,147.70$126.50$143.75$171.35$227.70$342.70$1,147.70