benzyl 1-amino-3,6,9,12-tetraoxapentadecan-15-oate

benzyl 1-amino-3,6,9,12-tetraoxapentadecan-15-oate

CAS: 1351397-21-1

Formula: C18H29NO6

SMILES: NCCOCCOCCOCCOCCC(=O)OCC1=CC=CC=C1

IUPAC: benzyl 1-amino-3,6,9,12-tetraoxapentadecan-15-oate

InChI: InChI=1S/C18H29NO6/c19-7-9-22-11-13-24-15-14-23-12-10-21-8-6-18(20)25-16-17-4-2-1-3-5-17/h1-5H,6-16,19H2

Composition: C (60.83%), H (8.22%), N (3.94%), O (27.01%)

Molar Mass: 355.431

Atom Count: 54

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	355.199487658
Formal Charge	0
FSP3	0.61
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	MNJPPZOECOMFQW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.26
Topological Polar Surface Area	89.24
Polarizability	37.51
Ring Count	1
Rotatable Bond Count	17

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