(S)-2-Aminohexane

C₆H₁₅NCAS 70492-67-0101.19 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₆H₁₅N
Molar mass: 101.19 g/mol
Exact mass: 101.1204 Da
logP: 1.52Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed71.4% of notifiers
H302 Harmful if swallowed28.6% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage71.4% of notifiers
H412 Harmful to aquatic life with long lasting effects71.4% of notifiers

Aggregated from 147 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

70492-67-0

SMILES

CCCC[C@H](C)N

InChIKey

WGBBUURBHXLGFM-LURJTMIESA-N

InChI

InChI=1S/C6H15N/c1-3-4-5-6(2)7/h6H,3-5,7H2,1-2H3/t6-/m0/s1

Weigh it out

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

Work with (S)-2-Aminohexane

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-2-Aminohexane70095-40-8Enantiomer

Similar compounds

2-Aminoheptane123-82-085 % similar (±)-2-Octanamine693-16-381 % similar 2-Pentanamine63493-28-770 % similar (±)-1,5-Dimethylhexylamine543-82-857 % similar N,N-Diethyl-1,4-pentanediamine140-80-752 % similar 2-Methylhexane31394-54-450 % similar 2-Methylhexane591-76-450 % similar (1,5-Dimethylhexyl)ammonium chloride5984-59-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dimethylbutylamine108-09-8 Diisopropylamine108-18-9 Hexylamine111-26-2 Triethylamine121-44-8 Ethylbutylamine13360-63-9 Dipropylamine142-84-7 (+)-2-Amino-3,3-dimethylbutane22526-47-2 N-Methylpentylamine25419-06-1

Elsewhere

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