(-)-sec-Butylamine

C₄H₁₁NCAS 13250-12-973.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₁N
Molar mass: 73.14 g/mol
Exact mass: 73.0891 Da
logP: 0.74Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Rin 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), 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

13250-12-9

SMILES

CC[C@@H](C)N

InChIKey

BHRZNVHARXXAHW-SCSAIBSYSA-N

InChI

InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/t4-/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all

2-Butanamine, (2R)-
sec-Butylamine, (R)-(-)-
2-Butanamine, (R)-
(-)-2-Butylamine
(R)-(-)-2-Aminobutane
(-)-2-Aminobutane
(R)-sec-Butylamine
(R)-(-)-sec-Butylamine
(R)-2-Butanamine
(R)-1-Methylpropylamine
(R)-2-Butylamine
(R)-(-)-2-Butylamine
(R)-2-Aminobutane
(R)-N-sec-Butylamine
(1R)-1-Methylpropylamine
(2R)-Butan-2-amine

Work with (-)-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 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.

(S)-sec-Butylamine513-49-5Enantiomer 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