(1S,2S)-N,N-Dimethyl-1,2-diaminocyclohexane - CAS 894493-95-9

Catalog:	BB039482
Product Name:	(1S,2S)-N,N-Dimethyl-1,2-diaminocyclohexane
CAS:	894493-95-9
Synonyms:	(1S,2S)-N2,N2-dimethylcyclohexane-1,2-diamine; (1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine

Technical Data

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Computed Properties

IUPAC Name:	(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine
Description:	(1S,2S)-N,N-Dimethyl-1,2-diaminocyclohexane (CAS# 894493-95-9) is a useful research chemical.
Molecular Weight:	142.24
Molecular Formula:	C8H18N2
Canonical SMILES:	CN(C)C1CCCCC1N
InChI:	InChI=1S/C8H18N2/c1-10(2)8-6-4-3-5-7(8)9/h7-8H,3-6,9H2,1-2H3/t7-,8-/m0/s1
InChI Key:	FRDZGSBXKJXGNR-YUMQZZPRSA-N
Boiling Point:	180 °C
Density:	0.92 g/mL
Storage:	Keep in dark place. Inert atmosphere. Keep cold.
LogP:	1.51820

Publication Number	Title	Priority Date
CN-111848322-A	Axial chiral oxindole-substituted styrene compound and resolution method and application thereof	20200805
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WO-2021084500-A1	Fluorinated quinoline and quinoxaline derivatives as dihydroorotate dehydrogenase (dhodh) inhibitors for the treatment of cancer, autoimmune and inflammatory diseases	20191101
WO-2021084264-A1	Isoquinoline derivatives as sik2 inhibitors	20191031
WO-2021069567-A1	Novel heteroaryl-triazole compounds as pesticides	20191009

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Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	142.146998583
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.146998583
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7