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2-Methylcyclohexylamine, mixture of cis and trans

2-Methylcyclohexylamine, mixture of cis and trans - CAS 7003-32-9

Catalog:	BB034049
Product Name:	2-Methylcyclohexylamine, mixture of cis and trans
CAS:	7003-32-9
Synonyms:	2-methylcyclohexan-1-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-methylcyclohexan-1-amine
Description:	2-Methylcyclohexylamine, mixture of cis and trans (CAS# 7003-32-9) is used in the preparation of of 2-(phenoxyaryl)-3-urea derivatives as novel P2Y1 receptor antagonists.
Molecular Weight:	113.20
Molecular Formula:	C7H15N
Canonical SMILES:	CC1CCCCC1N
InChI:	InChI=1S/C7H15N/c1-6-4-2-3-5-7(6)8/h6-7H,2-5,8H2,1H3
InChI Key:	FEUISMYEFPANSS-UHFFFAOYSA-N
Boiling Point:	149-150 ℃
Purity:	98 %
Density:	0.856 g/cm³
MDL:	MFCD00001492
LogP:	2.22410

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[55877-31-1]
1-Benzofuran-3-carbonitrile
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[1256633-32-5]
4,5-Isoxazoledicarbonitrile
[1129-37-9]
4-Nitrobenzaldehyde oxime

GHS Hazard Statement:	H226 (91.04%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	70.8
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:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6