methyl (2S)-2-amino-3-(2,4,6-trimethylphenyl)propanoate hydrochloride

methyl (2S)-2-amino-3-(2,4,6-trimethylphenyl)propanoate hydrochloride

CAS: 1965314-56-0

Formula: C13H20ClNO2

SMILES: Cl.COC(=O)[C@@H](N)CC1=C(C)C=C(C)C=C1C

IUPAC: methyl (2S)-2-amino-3-(2,4,6-trimethylphenyl)propanoate hydrochloride

InChI: InChI=1S/C13H19NO2.ClH/c1-8-5-9(2)11(10(3)6-8)7-12(14)13(15)16-4;/h5-6,12H,7,14H2,1-4H3;1H/t12-;/m0./s1

Composition: C (60.58%), H (7.82%), Cl (13.75%), N (5.43%), O (12.41%)

Molar Mass: 257.76

Atom Count: 37

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	257.1182566
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OZLLHKFBVNSMKI-YDALLXLXSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.01
Topological Polar Surface Area	52.32
Polarizability	25.28
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	1965314-56-0		$483.00-$5,612.00$483.00$851.00$1,587.00$5,612.00