methyl 4-(aminomethyl)oxane-4-carboxylate hydrochloride

methyl 4-(aminomethyl)oxane-4-carboxylate hydrochloride

CAS: 362707-24-2

Formula: C8H16ClNO3

SMILES: Cl.COC(=O)C1(CN)CCOCC1

IUPAC: methyl 4-(aminomethyl)oxane-4-carboxylate hydrochloride

InChI: InChI=1S/C8H15NO3.ClH/c1-11-7(10)8(6-9)2-4-12-5-3-8;/h2-6,9H2,1H3;1H

Composition: C (45.83%), H (7.69%), Cl (16.91%), N (6.68%), O (22.89%)

Molar Mass: 209.67

Atom Count: 29

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	209.0818711
Formal Charge	0
FSP3	0.87
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YAZALZOFBRGMKB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.1
Topological Polar Surface Area	61.55
Polarizability	17.76
Ring Count	1
Rotatable Bond Count	3

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