trans-4-Methylcyclohexylamine - CAS 2523-55-9

Name: trans-4-Methylcyclohexylamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018807
Product Name:	trans-4-Methylcyclohexylamine
CAS:	2523-55-9
Synonyms:	Cyclohexanamine, 4-methyl-, trans-; Cyclohexylamine, 4-methyl-, trans-; trans-4-Methylcyclohexanamine; 4-trans-Methylcyclohexylamine; trans-1-Amino-4-methylcyclohexane; trans-4-Methyl-1-cyclohexanamine; trans-4-Methyl-1-cyclohexylamine

Technical Data

IUPAC Name:	(1r,4r)-4-methylcyclohexan-1-amine
Description:	Trans-4-Methylcyclohexylamine is used for the development of T. cruzi enzyme inhibitor.
Molecular Weight:	113.20
Molecular Formula:	C7H15N
Canonical SMILES:	NC1CCC(C)CC1
InChI:	InChI=1/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-
InChI Key:	KSMVBYPXNKCPAJ-LJGSYFOKNA-N
Boiling Point:	72-73°C at 50 Torr
Purity:	≥95%
Density:	0.844±0.06 g/cm3
Solubility:	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance:	Colorless Oil
LogP:	2.22410

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

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EP-3839043-A1	Screening methods for compounds modulating polyamine transport	20191220
WO-2021121046-A1	Chemical mechanical polishing solution	20191220
EP-3838981-A1	Reactive resin component, reactive resin system containing the same and use thereof	20191218
WO-2021122102-A1	Reactive resin component, reactive resin system containing same and use thereof	20191218
WO-2021122957-A1	Dental root canal filling composition	20191217

PMID	Publication Date	Title	Journal
21809076	20120201	Polyamine metabolism is involved in adipogenesis of 3T3-L1 cells	Amino acids
20190522	20100301	[Identification of novel molecules regulating differentiation and hormone secretion and clarification of their functional mechanisms in pancreatic endocrine cells]	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan
20103729	20100201	Chemoprevention of B-cell lymphomas by inhibition of the Myc target spermidine synthase	Cancer prevention research (Philadelphia, Pa.)
19713585	20090923	The biosynthesis of palladium nanoparticles by antioxidants in Gardenia jasminoides Ellis: long lifetime nanocatalysts for p-nitrotoluene hydrogenation	Nanotechnology
19875898	20090101	Spermidine regulates insulin synthesis and cytoplasmic Ca(2+) in mouse beta-TC6 insulinoma cells	Cell structure and function

Complexity:	62.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.120449483
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.120449483
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5