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(1s,4s)-cyclohexane-1,4-diamine

(1s,4s)-cyclohexane-1,4-diamine

CAS: 15827-56-2

Formula: C6H14N2

SMILES: N[C@H]1CC[C@@H](N)CC1

IUPAC: (1s,4s)-cyclohexane-1,4-diamine

InChI: InChI=1/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2/t5-,6+

Composition: C (63.11%), H (12.36%), N (24.53%)

Molar Mass: 114.192

Atom Count: 22

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 114.115698459
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey VKIRRGRTJUUZHS-OLQVQODUNA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.26
Topological Polar Surface Area 52.04
Polarizability 14.12
Ring Count 1
Rotatable Bond Count 0

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