methyl 1-[2-(aminomethyl)phenyl]pyrrolidine-2-carboxylate

methyl 1-[2-(aminomethyl)phenyl]pyrrolidine-2-carboxylate

CAS: 1301738-45-3

Formula: C13H18N2O2

SMILES: COC(=O)C1CCCN1C1=C(CN)C=CC=C1

IUPAC: methyl 1-[2-(aminomethyl)phenyl]pyrrolidine-2-carboxylate

InChI: InChI=1/C13H18N2O2/c1-17-13(16)12-7-4-8-15(12)11-6-3-2-5-10(11)9-14/h2-3,5-6,12H,4,7-9,14H2,1H3

Composition: C (66.64%), H (7.74%), N (11.96%), O (13.66%)

Molar Mass: 234.299

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	234.136827828
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VIVKLDMTZODPPY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.1
Topological Polar Surface Area	55.56
Polarizability	25.92
Ring Count	2
Rotatable Bond Count	4

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95%	<5 Days	1301738-45-3		$2,200.00-$3,960.00$2,200.00$3,080.00$3,960.00