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(1R,2R)-N,N,N'-Trimethyl-1,2-diaminocyclohexane

(1R,2R)-N,N,N'-Trimethyl-1,2-diaminocyclohexane - CAS 79150-46-2

Catalog:	BB036298
Product Name:	(1R,2R)-N,N,N'-Trimethyl-1,2-diaminocyclohexane
CAS:	79150-46-2
Synonyms:	(1R,2R)-N1,N2,N2-trimethylcyclohexane-1,2-diamine; (1R,2R)-1-N,2-N,2-N-trimethylcyclohexane-1,2-diamine

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Computed Properties

IUPAC Name:	(1R,2R)-1-N,2-N,2-N-trimethylcyclohexane-1,2-diamine
Description:	(1R,2R)-N,N,N'-Trimethyl-1,2-diaminocyclohexane (CAS# 79150-46-2 ) is a useful research chemical.
Molecular Weight:	156.27
Molecular Formula:	C9H20N2
Canonical SMILES:	CNC1CCCCC1N(C)C
InChI:	InChI=1S/C9H20N2/c1-10-8-6-4-5-7-9(8)11(2)3/h8-10H,4-7H2,1-3H3/t8-,9-/m1/s1
InChI Key:	MGFSHCOCJMZNSV-RKDXNWHRSA-N
Storage:	Keep in dark place. Inert atmosphere. Keep cold.
MDL:	MFCD20663528
LogP:	1.46950

Publication Number	Title	Priority Date
WO-2020120994-A1	Orexin 1 receptor antagonists	20181214
EP-3294732-B1	Benzimidazole and imadazopyridine carboximidamide compounds having activity as inhibitors of indoleamine 2,3-dioxygenase	20150515
US-2017275289-A1	Therapeutic compounds and uses thereof	20140905
US-2017334883-A1	Therapeutic compounds and uses thereof	20140905
EP-3044223-B1	2,3-dihydro-1h-inden-1-one derivatives as retinoic acid-related orphan receptor gamma (ror gamma) antagonists for treating multiple sclerosis	20130910

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Precautionary Statement:	P264 - P280 - P302+P352 - P305+P351+P338 - P332+P313 - P337+P313 - P362
Signal Word:	Warning

Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	156.162648646
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.162648646
Rotatable Bond Count:	2
Topological Polar Surface Area:	15.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2