(11S,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine

Catalog Number	ACM138517665-1
CAS	138517-66-5
Structure
Synonyms	(S,S)-11,12-Diamino-9,10-dihydro-9,10-ethanoanthracene
IUPAC Name	(15S,16S)-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diamine
Molecular Weight	236.31
Molecular Formula	C16H16N2
Canonical SMILES	C1=CC=C2C3C(C(C(C2=C1)C4=CC=CC=C34)N)N
InChI	NWDYSRZJOLDMRE-CKUJCDMFSA-N
InChI Key	InChI=1S/C16H16N2/c17-15-13-9-5-1-2-6-10(9)14(16(15)18)12-8-4-3-7-11(12)13/h1-8,13-16H,17-18H2/t13?,14?,15-,16-/m0/s1
Boiling Point	396.72ºC at 760 mmHg
Melting Point	152.5-153.9 °C
Flash Point	231.6ºC
Purity	98%
Density	1.195g/cm³
Appearance	Off-white powder
Complexity	273
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	236.13100
Heavy Atom Count	18
Isomeric SMILES	C1=CC=C2C3[C@@H]([C@H](C(C2=C1)C4=CC=CC=C34)N)N
Monoisotopic Mass	236.131g/mol
Topological Polar Surface Area	52A^2