1,8-Diamino-p-menthane

C₁₀H₂₂N₂CAS 80-52-4170.30 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₁₀H₂₂N₂
Molar mass: 170.30 g/mol
Exact mass: 170.1783 Da
Density: 0.91 g/mL
Melting point: −45 °C
Boiling point: 115–120 °C (at 10 Torr)
Flash point: 93.3 °C
Water solubility: slightly soluble
logP: 1.63Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed42.1% of notifiers
H302 Harmful if swallowed57.9% of notifiers
H311 Toxic in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage57.9% of notifiers
H331 Toxic if inhaled42.1% of notifiers
H335 May cause respiratory irritation57.9% of notifiers

Aggregated from 95 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

80-52-4

SMILES

CC1(N)CCC(C(C)(C)N)CC1

InChIKey

KOGSPLLRMRSADR-UHFFFAOYSA-N

InChI

InChI=1S/C10H22N2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8H,4-7,11-12H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names

Cyclohexanemethanamine, 4-amino-α,α,4-trimethyl-
p-Menthane-1,8-diamine
4-Amino-α,α,4-trimethylcyclohexanemethanamine
1-Amino-1-methyl-4-(2-amino-2-propyl)cyclohexane
1-Methyl-4-(1-amino-1-methylethyl)cyclohexylamine
Menthanediamine
1,8-Menthanediamine
1,8-p-Menthanediamine
Primene MD
NSC 5612
4-(2-Aminopropan-2-yl)-1-methylcyclohexan-1-amine

Work with 1,8-Diamino-p-menthane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Amino-1-methylcyclohexane6526-78-944 % similar 1-Methylcyclopropylamine hydrochloride88887-87-044 % similar 1-Methylcyclobutan-1-amine hydrochloride174886-05-641 % similar 2-Amino-2-methyl-1,3-propanediol115-69-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isophorone diamine2855-13-2 1-Hexylpiperazine51619-55-7 4-Aminomethyl-1-N-butylpiperidine65017-57-4

Elsewhere

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