1,2-Benzenediol,4-[2-[[1-(4-amino-4-methylcyclohexyl)-1-methylethyl]amino]-1-hydroxyethyl]-

CAS

99081-68-2

Catalog Number

ACM99081682

Category

Other Products

Molecular Weight

322.4424

Molecular Formula

C₁₈H₃₀N₂O₃

MSDS COA Spec Sheet

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Specification

Synonyms

4-(2-((1-(4-Amino-4-methylcyclohexyl)-1-methylethyl)amino)-1-hydroxyethyl)-1,2-benzenediol, 99081-68-2, ANNEP, Aminomenthylnorepinephrine, AC1L2RMS, AC1Q7AC8, CTK8D5085, AR-1F5655, 4-(2-{[2-(4-amino-4-methylcyclohexyl)propan-2-yl]amino}-1-hydroxyethyl)benzene-1,2-diol, 4-[2-[2-(4-amino-4-methylcyclohexyl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol, 1,2-Benzenediol, 4-(2-((1-(4-amino-4-methylcyclohexyl)-1-methylethyl)amino)-1-hydroxyethyl)-

IUPAC Name

4-[2-[2-(4-amino-4-methylcyclohexyl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,2-diol

Canonical SMILES

CC1CCC(C(C1)OC2=C(C=CC(=C2N)C(CN)O)O)C(C)C

InChI Key

KLPVJBPCZSWVRQ-UHFFFAOYSA-N

Boiling Point

516.5ºC at 760mmHg

Flash Point

266.2ºC

Density

1.152g/cm³

Exact Mass

322.22600

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 1,2-Benzenediol,4-[2-[[1-(4-amino-4-methylcyclohexyl)-1-methylethyl]amino]-1-hydroxyethyl]?

The molecular formula is C18H30N2O3.

What is the molecular weight of 1,2-Benzenediol,4-[2-[[1-(4-amino-4-methylcyclohexyl)-1-methylethyl]amino]-1-hydroxyethyl]?

The molecular weight is 322.4 g/mol.

What is the IUPAC name of 1,2-Benzenediol,4-[2-[[1-(4-amino-4-methylcyclohexyl)-1-methylethyl]amino]-1-hydroxyethyl]?

The IUPAC name is 3-amino-4-(2-amino-1-hydroxyethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyphenol.

What is the InChIKey of 1,2-Benzenediol,4-[2-[[1-(4-amino-4-methylcyclohexyl)-1-methylethyl]amino]-1-hydroxyethyl]?

The InChIKey is JOSGXPMTWBPDQD-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 1,2-Benzenediol,4-[2-[[1-(4-amino-4-methylcyclohexyl)-1-methylethyl]amino]-1-hydroxyethyl] have?

It has 4 hydrogen bond donor counts.

What is the XLogP3-AA value of 1,2-Benzenediol,4-[2-[[1-(4-amino-4-methylcyclohexyl)-1-methylethyl]amino]-1-hydroxyethyl]?

The XLogP3-AA value is 3.1.

How many hydrogen bond acceptor counts does 1,2-Benzenediol,4-[2-[[1-(4-amino-4-methylcyclohexyl)-1-methylethyl]amino]-1-hydroxyethyl] have?

It has 5 hydrogen bond acceptor counts.

What is the exact mass of 1,2-Benzenediol,4-[2-[[1-(4-amino-4-methylcyclohexyl)-1-methylethyl]amino]-1-hydroxyethyl]?

The exact mass is 322.22564282 g/mol.

How many rotatable bond counts does 1,2-Benzenediol,4-[2-[[1-(4-amino-4-methylcyclohexyl)-1-methylethyl]amino]-1-hydroxyethyl] have?

It has 5 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.