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(1S,2S)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine

(1S,2S)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine

CAS: 58520-04-0

Formula: C16H20N2O2

SMILES: COC1=CC=C(C=C1)[C@H](N)[C@@H](N)C1=CC=C(OC)C=C1

IUPAC: (1S,2S)-1,2-bis(4-methoxyphenyl)ethane-1,2-diamine

InChI: InChI=1S/C16H20N2O2/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-16H,17-18H2,1-2H3/t15-,16-/m0/s1

Composition: C (70.56%), H (7.40%), N (10.29%), O (11.75%)

Molar Mass: 272.348

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 272.152477892
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZWMPRHYHRAUVGY-HOTGVXAUSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.36
Topological Polar Surface Area 70.5
Polarizability 31.7
Ring Count 2
Rotatable Bond Count 5

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