1-Amino-1-methylcyclohexane hydrochloride - CAS 89854-70-6

Catalog:	BB039634
Product Name:	1-Amino-1-methylcyclohexane hydrochloride
CAS:	89854-70-6
Synonyms:	1-methylcyclohexan-1-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	1-methylcyclohexan-1-amine;hydrochloride
Description:	1-Amino-1-methylcyclohexane hydrochloride (CAS# 89854-70-6) is a useful research chemical.
Molecular Weight:	149.66
Molecular Formula:	C7H16ClN
Canonical SMILES:	CC1(CCCCC1)N.Cl
InChI:	InChI=1S/C7H15N.ClH/c1-7(8)5-3-2-4-6-7;/h2-6,8H2,1H3;1H
InChI Key:	VNLCPYWZTADPJD-UHFFFAOYSA-N
Boiling Point:	148.3 °C at 760 mmHg
MDL:	MFCD01735171
LogP:	3.17020

Publication Number	Title	Priority Date
AU-2018318075-A1	3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof	20170814
CA-3072671-A1	3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof	20170814
EP-3668832-A1	3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof	20170814
US-2019047947-A1	3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof	20170814
WO-2019036374-A1	3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND THEIR USE	20170814

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	72.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.0971272
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	149.0971272
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0