Text Search
Structure Search

4-(N'-aminomethanimidamido)butyl 4-hydroxy-3,5-dimethoxybenzoate

4-(N'-aminomethanimidamido)butyl 4-hydroxy-3,5-dimethoxybenzoate

CAS: 24697-74-3

Formula: C14H21N3O5

SMILES: COC1=CC(=CC(OC)=C1O)C(=O)OCCCCNC=NN

IUPAC: 4-(N'-aminomethanimidamido)butyl 4-hydroxy-3,5-dimethoxybenzoate

InChI: InChI=1S/C14H21N3O5/c1-20-11-7-10(8-12(21-2)13(11)18)14(19)22-6-4-3-5-16-9-17-15/h7-9,18H,3-6,15H2,1-2H3,(H,16,17)

Composition: C (54.01%), H (6.80%), N (13.50%), O (25.69%)

Molar Mass: 311.338

Atom Count: 43

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 311.148120788
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 3
InChIKey FXFDDQGRRAATTO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.94
Topological Polar Surface Area 115.4
Polarizability 31.12
Ring Count 1
Rotatable Bond Count 9

Suppliers

No suppliers are currently stocking this item.