(S)-sec-Butylamine

C₄H₁₁NCAS 513-49-573.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₁N
Molar mass: 73.14 g/mol
Exact mass: 73.0891 Da
Boiling point: 62.5 °C
logP: 0.74Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H302 Harmful if swallowedAcute toxicity, oral
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H332 Harmful if inhaledAcute toxicity, inhalation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard

Harmonised EU classification (CLP Annex VI, index 612-052-00-7[1]), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number

513-49-5

SMILES

CC[C@H](C)N

InChIKey

BHRZNVHARXXAHW-BYPYZUCNSA-N

InChI

InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/t4-/m0/s1

Weigh it out

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

Names and synonyms

18 names · show all

2-Butanamine, (2S)-
sec-Butylamine, (S)-
2-Butanamine, (S)-
(2S)-2-Butanamine
(+)-sec-Butylamine
(+)-2-Butylamine
(+)-(S)-sec-Butylamine
(S)-(+)-2-Aminobutane
(S)-2-Butanamine
(S)-2-Aminobutane
(+)-2-Aminobutane
(S)-(+)-sec-Butylamine
(S)-1-Methylpropylamine
(S)-2-Butylamine
(S)-(+)-2-Butylamine
(S)-N-sec-Butylamine
[(1S)-1-Methylpropyl]amine
(2S)-Butan-2-amine

Work with (S)-sec-Butylamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point 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.

(-)-sec-Butylamine13250-12-9Enantiomer sec-Butylamine13952-84-6Stereo not defined (±)-sec-Butylamine33966-50-6Stereo not defined

Similar compounds

1,3-Dimethylamylamine105-41-957 % similar 4-Methyl-2-hexanamine hydrochloride13803-74-250 % similar 2-Pentanamine63493-28-750 % similar 1,2-Diaminopropane78-90-047 % similar (R)-2-Aminohexane70095-40-845 % similar (S)-2-Aminohexane70492-67-045 % similar 1,3-Dimethylbutylamine108-09-845 % similar L-Alaninol2749-11-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

n-Butylamine109-73-9 Diethylamine109-89-7 Methylisopropylamine4747-21-1 N,N-Dimethylethylamine598-56-1 N-Methylpropylamine627-35-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook