(1S,2S)-Cyclohexane-1,2-diamine

Catalog Number	ACM21436033-1
CAS	21436-03-3
Structure
Synonyms	(1S,2S)-(+)-1,2-Diaminocyclohexane; (+/-)-trans-1,2-Diaminocyclohexane
IUPAC Name	(1S,2S)-cyclohexane-1,2-diamine
Molecular Weight	114.19
Molecular Formula	C6H14N2
Canonical SMILES	C1CCC(C(C1)N)N
InChI	SSJXIUAHEKJCMH-WDSKDSINSA-N
InChI Key	InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m0/s1
Boiling Point	104-110 °C at 40 mmHg -lit.
Melting Point	40-43 °C -lit.
Purity	96%
Exact Mass	114.115698455
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isomeric SMILES	C1CC[C@@H]([C@H](C1)N)N
Monoisotopic Mass	114.115698455
Rotatable Bond Count	0
Topological Polar Surface Area	52 Ų